C200-9525 Screening compound: N-(2,4-dimethylphenyl)-2-({4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide

C200-9525 Screening compound: N-(2,4-dimethylphenyl)-2-({4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide
C200-9525 Screening compound: N-(2,4-dimethylphenyl)-2-({4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9525
N-(2,4-dimethylphenyl)-2-({4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)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

C200-9525

Molecular Formula

C26H31N5OS (C26 H31 N5 OS)

Compound Name

N-(2,4-dimethylphenyl)-2-({4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide

IUPAC name

N-(24-dimethylphenyl)-2-({4-[4-(23-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide

SMILES

Cc(cc1)cc(C)c1NC(CSc1nc(N(CC2)CCN2c2c(C)c(C)ccc2)ccn1)=O

InChI

InChI=1S/C26H31N5OS/c1-18-8-9-22(20(3)16-18)28-25(32)17-33-26-27-11-10-24(29-26)31-14-12-30(13-15-31)23-7-5-6-19(2)21(23)4/h5-11,16H,12-15,17H2,1-4H3,(H,28,32)

InChI Key

WIVXWPXMXFYABX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.061

Distribution Coefficient, logD

6.061

Water Solubility, LogSw

-5.40

Polar Surface Area

46.019

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C200-9525 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-9525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9525?
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What is the minimum amount of C200-9525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9525
  • 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 C200-9525 available by request