C200-4922 Screening compound: 2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C200-4922 Screening compound: 2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
C200-4922 Screening compound: 2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4922
2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)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

C200-4922

Molecular Formula

C26H31N3O6S2 (C26 H31 N3 O6 S2)

Compound Name

2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

IUPAC name

2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(34-dimethoxyphenyl)ethyl]acetamide

SMILES

CC(C)(C)c(cc1)ccc1S(C(C(N1)=O)=CN=C1SCC(NCCc(cc1)cc(OC)c1OC)=O)(=O)=O

InChI

InChI=1S/C26H31N3O6S2/c1-26(2,3)18-7-9-19(10-8-18)37(32,33)22-15-28-25(29-24(22)31)36-16-23(30)27-13-12-17-6-11-20(34-4)21(14-17)35-5/h6-11,14-15H,12-13,16H2,1-5H3,(H,27,30)(H,28,29,31)

InChI Key

STQWOHZXYBUSDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.68

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.786

Distribution Coefficient, logD

1.144

Water Solubility, LogSw

-3.53

Polar Surface Area

103.565

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C200-4922 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 C200-4922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4922?
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What is the minimum amount of C200-4922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4922
  • 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 C200-4922 available by request