C200-6996 Screening compound: 3-(4-ethylbenzenesulfonyl)-N2-(2-methoxyphenyl)-5-(4-methylbenzoyl)thiophene-2,4-diamine

C200-6996 Screening compound: 3-(4-ethylbenzenesulfonyl)-N2-(2-methoxyphenyl)-5-(4-methylbenzoyl)thiophene-2,4-diamine
C200-6996 Screening compound: 3-(4-ethylbenzenesulfonyl)-N2-(2-methoxyphenyl)-5-(4-methylbenzoyl)thiophene-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6996
3-(4-ethylbenzenesulfonyl)-N2-(2-methoxyphenyl)-5-(4-methylbenzoyl)thiophene-2,4-diamine

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

C200-6996

Molecular Formula

C27H26N2O4S2 (C27 H26 N2 O4 S2)

Compound Name

3-(4-ethylbenzenesulfonyl)-N2-(2-methoxyphenyl)-5-(4-methylbenzoyl)thiophene-2,4-diamine

IUPAC name

3-(4-ethylbenzenesulfonyl)-N2-(2-methoxyphenyl)-5-(4-methylbenzoyl)thiophene-24-diamine

SMILES

CCc(cc1)ccc1S(c1c(Nc(cccc2)c2OC)sc(C(c2ccc(C)cc2)=O)c1N)(=O)=O

InChI

InChI=1S/C27H26N2O4S2/c1-4-18-11-15-20(16-12-18)35(31,32)26-23(28)25(24(30)19-13-9-17(2)10-14-19)34-27(26)29-21-7-5-6-8-22(21)33-3/h5-16,29H,4,28H2,1-3H3

InChI Key

BSKJKJWUQVLMAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.477

Distribution Coefficient, logD

6.477

Water Solubility, LogSw

-5.85

Polar Surface Area

78.232

Acid Dissociation Constant (pKa)

17.11

Base Dissociation Constant (pKb)

-5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

C200-6996 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C200-6996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6996?
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What is the minimum amount of C200-6996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6996
  • 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 C200-6996 available by request