C280-1139 Screening compound: 2-({3-ethyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-methylphenyl)acetamide

C280-1139 Screening compound: 2-({3-ethyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-methylphenyl)acetamide
C280-1139 Screening compound: 2-({3-ethyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C280-1139
2-({3-ethyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-methylphenyl)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

C280-1139

Molecular Formula

C17H19N3O2S2 (C17 H19 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(C1=O)C(SCC(Nc2ccc(C)cc2)=O)=NC2=C1SCC2

InChI

InChI=1S/C17H19N3O2S2/c1-3-20-16(22)15-13(8-9-23-15)19-17(20)24-10-14(21)18-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,18,21)

InChI Key

BGDHNXKQGSAYKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05939868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.636

Distribution Coefficient, logD

2.636

Water Solubility, LogSw

-2.95

Polar Surface Area

49.253

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C280-1139 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C280-1139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C280-1139?
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What is the minimum amount of C280-1139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C280-1139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C280-1139
  • 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 C280-1139 available by request