C794-1130 Screening compound: N-(2-ethylphenyl)-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]acetamide

C794-1130 Screening compound: N-(2-ethylphenyl)-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]acetamide
C794-1130 Screening compound: N-(2-ethylphenyl)-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]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1130
N-(2-ethylphenyl)-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]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

C794-1130

Molecular Formula

C28H29N5OS2 (C28 H29 N5 OS2)

Compound Name

N-(2-ethylphenyl)-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]acetamide

IUPAC name

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

SMILES

CCc(cccc1)c1NC(CSc1nnc(-c2cc(scc3)c3n2C)n1-c1c(C)cc(C)cc1C)=O

InChI

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

InChI Key

DPEUCJWTRMRMHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.933

Distribution Coefficient, logD

6.933

Water Solubility, LogSw

-5.57

Polar Surface Area

49.116

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C794-1130 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C794-1130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1130?
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What is the minimum amount of C794-1130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1130
  • 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 C794-1130 available by request