C096-0025 Screening compound: 2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C096-0025 Screening compound: 2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
C096-0025 Screening compound: 2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C096-0025
2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl)-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

C096-0025

Molecular Formula

C24H26N6O6S2 (C24 H26 N6 O6 S2)

Compound Name

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

IUPAC name

2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl)-N-(5-methyl-12-oxazol-3-yl)acetamide

SMILES

Cc1cc(NC(CN(C=Nc2c3c(S(N(CC4)CCN4c(cccc4)c4OC)(=O)=O)c(C)s2)C3=O)=O)no1

InChI

InChI=1S/C24H26N6O6S2/c1-15-12-19(27-36-15)26-20(31)13-29-14-25-23-21(24(29)32)22(16(2)37-23)38(33,34)30-10-8-28(9-11-30)17-6-4-5-7-18(17)35-3/h4-7,12,14H,8-11,13H2,1-3H3,(H,26,27,31)

InChI Key

JRAJWPVWBFSVBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.64

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.295

Distribution Coefficient, logD

2.281

Water Solubility, LogSw

-3.04

Polar Surface Area

113.487

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C096-0025 in Drug Discovery

Included in Screening Libraries

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

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 C096-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C096-0025?
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What is the minimum amount of C096-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C096-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C096-0025
  • 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 C096-0025 available by request