E580-0082 Screening compound: 2-({3-benzyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

E580-0082 Screening compound: 2-({3-benzyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
E580-0082 Screening compound: 2-({3-benzyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E580-0082
2-({3-benzyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

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

E580-0082

Molecular Formula

C19H19N5O2S3 (C19 H19 N5 O2 S3)

Compound Name

2-({3-benzyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

2-({3-benzyl-4-oxo-3H4H6H7H-thieno[32-d]pyrimidin-2-yl}sulfanyl)-N-(5-ethyl-134-thiadiazol-2-yl)acetamide

SMILES

CCc1nnc(NC(CSC(N(Cc2ccccc2)C2=O)=NC3=C2SCC3)=O)s1

InChI

InChI=1S/C19H19N5O2S3/c1-2-15-22-23-18(29-15)21-14(25)11-28-19-20-13-8-9-27-16(13)17(26)24(19)10-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,21,23,25)

InChI Key

NVVAGDHZCOURTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05963657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.106

Distribution Coefficient, logD

3.076

Water Solubility, LogSw

-3.26

Polar Surface Area

73.297

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with E580-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E580-0082?
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What is the minimum amount of E580-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E580-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E580-0082
  • 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 E580-0082 available by request