C066-2374 Screening compound: N-(2-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide

C066-2374 Screening compound: N-(2-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide
C066-2374 Screening compound: N-(2-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2374
N-(2-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-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

C066-2374

Molecular Formula

C24H24ClN7O4S2 (C24 H24 ClN7 O4 S2)

Compound Name

N-(2-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide

IUPAC name

N-(2-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H4H-thieno[23-d]pyrimidin-3-yl)acetamide

SMILES

Cc(sc(N=CN1CC(Nc(ccc(C)c2)c2Cl)=O)c2C1=O)c2S(N(CC1)CCN1c1ncccn1)(=O)=O

InChI

InChI=1S/C24H24ClN7O4S2/c1-15-4-5-18(17(25)12-15)29-19(33)13-31-14-28-22-20(23(31)34)21(16(2)37-22)38(35,36)32-10-8-30(9-11-32)24-26-6-3-7-27-24/h3-7,12,14H,8-11,13H2,1-2H3,(H,29,33)

InChI Key

ZGBOCXJALRPZOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.08

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.808

Distribution Coefficient, logD

2.808

Water Solubility, LogSw

-3.56

Polar Surface Area

102.026

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C066-2374 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-2374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2374?
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What is the minimum amount of C066-2374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2374
  • 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 C066-2374 available by request