D549-0057 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide

D549-0057 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
D549-0057 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-0057
2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide

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

D549-0057

Molecular Formula

C18H22N6OS2 (C18 H22 N6 OS2)

Compound Name

2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide

IUPAC name

2-[(5-{3-aminothieno[23-b]pyridin-2-yl}-4-methyl-4H-124-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide

SMILES

Cn1c(SCC(NC2CCCCC2)=O)nnc1-c(sc1ncccc11)c1N

InChI

InChI=1S/C18H22N6OS2/c1-24-16(15-14(19)12-8-5-9-20-17(12)27-15)22-23-18(24)26-10-13(25)21-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10,19H2,1H3,(H,21,25)

InChI Key

XCZVVFWBRNHPQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.551

Distribution Coefficient, logD

2.550

Water Solubility, LogSw

-2.67

Polar Surface Area

78.786

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D549-0057 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D549-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-0057?
Check Price and Availability of D549-0057, 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 D549-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-0057
  • 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 D549-0057 available by request