C794-1125 Screening compound: N-ethyl-2-[(5-{4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide

C794-1125 Screening compound: N-ethyl-2-[(5-{4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
C794-1125 Screening compound: N-ethyl-2-[(5-{4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1125
N-ethyl-2-[(5-{4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide

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

C794-1125

Molecular Formula

C28H29N5OS2 (C28 H29 N5 OS2)

Compound Name

N-ethyl-2-[(5-{4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide

IUPAC name

N-ethyl-2-[(5-{4-methyl-4H-thieno[32-b]pyrrol-5-yl}-4-(246-trimethylphenyl)-4H-124-triazol-3-yl)sulfanyl]-N-phenylacetamide

SMILES

CCN(C(CSc1nnc(-c2cc(scc3)c3n2C)n1-c1c(C)cc(C)cc1C)=O)c1ccccc1

InChI

InChI=1S/C28H29N5OS2/c1-6-32(21-10-8-7-9-11-21)25(34)17-36-28-30-29-27(23-16-24-22(31(23)5)12-13-35-24)33(28)26-19(3)14-18(2)15-20(26)4/h7-16H,6,17H2,1-5H3

InChI Key

NHWYKVOUWQFBLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.768

Distribution Coefficient, logD

6.768

Water Solubility, LogSw

-5.55

Polar Surface Area

41.756

Acid Dissociation Constant (pKa)

18.77

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C794-1125 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C794-1125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1125?
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What is the minimum amount of C794-1125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1125
  • 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 C794-1125 available by request