8640-0062 Screening compound: ethyl 2-{[(2-methoxyethyl)carbamoyl]amino}-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate

8640-0062 Screening compound: ethyl 2-{[(2-methoxyethyl)carbamoyl]amino}-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate
8640-0062 Screening compound: ethyl 2-{[(2-methoxyethyl)carbamoyl]amino}-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0062
ethyl 2-{[(2-methoxyethyl)carbamoyl]amino}-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate

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

8640-0062

Molecular Formula

C16H24N2O5S (C16 H24 N2 O5 S)

Compound Name

ethyl 2-{[(2-methoxyethyl)carbamoyl]amino}-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate

IUPAC name

ethyl 2-{[(2-methoxyethyl)carbamoyl]amino}-55-dimethyl-4H5H7H-thieno[23-c]pyran-3-carboxylate

SMILES

CCOC(c1c(NC(NCCOC)=O)sc2c1CC(C)(C)OC2)=O

InChI

InChI=1S/C16H24N2O5S/c1-5-22-14(19)12-10-8-16(2,3)23-9-11(10)24-13(12)18-15(20)17-6-7-21-4/h5-9H2,1-4H3,(H2,17,18,20)

InChI Key

JYFMOXHJYWLJNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.495

Distribution Coefficient, logD

1.409

Water Solubility, LogSw

-2.61

Polar Surface Area

70.485

Acid Dissociation Constant (pKa)

6.35

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

8640-0062 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8640-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0062?
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What is the minimum amount of 8640-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0062
  • 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 8640-0062 available by request