C280-0041 Screening compound: 2-({3,6-DIMETHYL-4-OXO-3H,4H,6H,7H-THIENO[3,2-D]PYRIMIDIN-2-YL}SULFANYL)-N-(5-METHYL-1,2-OXAZOL-3-YL)ACETAMIDE

C280-0041 Screening compound: 2-({3,6-DIMETHYL-4-OXO-3H,4H,6H,7H-THIENO[3,2-D]PYRIMIDIN-2-YL}SULFANYL)-N-(5-METHYL-1,2-OXAZOL-3-YL)ACETAMIDE
C280-0041 Screening compound: 2-({3,6-DIMETHYL-4-OXO-3H,4H,6H,7H-THIENO[3,2-D]PYRIMIDIN-2-YL}SULFANYL)-N-(5-METHYL-1,2-OXAZOL-3-YL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C280-0041
2-({3,6-DIMETHYL-4-OXO-3H,4H,6H,7H-THIENO[3,2-D]PYRIMIDIN-2-YL}SULFANYL)-N-(5-METHYL-1,2-OXAZOL-3-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

C280-0041

Molecular Formula

C14H16N4O3S2 (C14 H16 N4 O3 S2)

Compound Name

2-({3,6-DIMETHYL-4-OXO-3H,4H,6H,7H-THIENO[3,2-D]PYRIMIDIN-2-YL}SULFANYL)-N-(5-METHYL-1,2-OXAZOL-3-YL)ACETAMIDE

IUPAC name

2-({36-dimethyl-4-oxo-3H4H6H7H-thieno[32-d]pyrimidin-2-yl}sulfanyl)-N-(5-methyl-12-oxazol-3-yl)acetamide

SMILES

CC(C1)SC(C(N2C)=O)=C1N=C2SCC(Nc1noc(C)c1)=O

InChI

InChI=1S/C14H16N4O3S2/c1-7-4-10(17-21-7)16-11(19)6-22-14-15-9-5-8(2)23-12(9)13(20)18(14)3/h4,8H,5-6H2,1-3H3,(H,16,17,19)/t8-/m0/s1

InChI Key

GZWWAOHMWJNUFZ-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD04463072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.663

Distribution Coefficient, logD

1.652

Water Solubility, LogSw

-2.48

Polar Surface Area

71.090

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

C280-0041 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 C280-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C280-0041?
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What is the minimum amount of C280-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C280-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C280-0041
  • 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 C280-0041 available by request