C200-5328 Screening compound: 2-{[5-(3-chloro-4-methoxybenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

C200-5328 Screening compound: 2-{[5-(3-chloro-4-methoxybenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
C200-5328 Screening compound: 2-{[5-(3-chloro-4-methoxybenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5328
2-{[5-(3-chloro-4-methoxybenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]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

C200-5328

Molecular Formula

C21H24ClN3O5S2 (C21 H24 ClN3 O5 S2)

Compound Name

2-{[5-(3-chloro-4-methoxybenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

IUPAC name

2-{[5-(3-chloro-4-methoxybenzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

SMILES

COc(ccc(S(C(C(N1)=O)=CN=C1SCC(NCCC1=CCCCC1)=O)(=O)=O)c1)c1Cl

InChI

InChI=1S/C21H24ClN3O5S2/c1-30-17-8-7-15(11-16(17)22)32(28,29)18-12-24-21(25-20(18)27)31-13-19(26)23-10-9-14-5-3-2-4-6-14/h5,7-8,11-12H,2-4,6,9-10,13H2,1H3,(H,23,26)(H,24,25,27)

InChI Key

VQJXQDKWRCGJDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09248465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.02

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.986

Distribution Coefficient, logD

0.344

Water Solubility, LogSw

-2.98

Polar Surface Area

96.126

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C200-5328 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 C200-5328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5328?
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What is the minimum amount of C200-5328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5328
  • 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 C200-5328 available by request