8640-0070 Screening compound: 2-{[(2-aminoethyl)carbamoyl]amino}-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylic acid

8640-0070 Screening compound: 2-{[(2-aminoethyl)carbamoyl]amino}-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylic acid
8640-0070 Screening compound: 2-{[(2-aminoethyl)carbamoyl]amino}-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0070
2-{[(2-aminoethyl)carbamoyl]amino}-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8640-0070

Molecular Formula

C13H19N3O4S (C13 H19 N3 O4 S)

Compound Name

2-{[(2-aminoethyl)carbamoyl]amino}-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylic acid

IUPAC name

2-{[(2-aminoethyl)carbamoyl]amino}-55-dimethyl-4H5H7H-thieno[23-c]pyran-3-carboxylic acid

SMILES

CC(C)(C1)OCc2c1c(C(O)=O)c(NC(NCCN)=O)s2

InChI

InChI=1S/C13H19N3O4S/c1-13(2)5-7-8(6-20-13)21-10(9(7)11(17)18)16-12(19)15-4-3-14/h3-6,14H2,1-2H3,(H,17,18)(H2,15,16,19)

InChI Key

SHMREONEKAGHBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.767

Distribution Coefficient, logD

0.767

Water Solubility, LogSw

-1.55

Polar Surface Area

90.952

Acid Dissociation Constant (pKa)

4.64

Base Dissociation Constant (pKb)

9.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

8640-0070 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Others
  • Kinases
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8640-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0070?
Check Price and Availability of 8640-0070, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8640-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0070
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8640-0070 available by request