8013-0292 Screening compound: N-(3-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

8013-0292 Screening compound: N-(3-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
8013-0292 Screening compound: N-(3-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0292
N-(3-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-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

8013-0292

Molecular Formula

C18H18N4O2S2 (C18 H18 N4 O2 S2)

Compound Name

N-(3-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-(3-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

COc1cccc(NC(CSc2nnc(-c3cccs3)n2CC=C)=O)c1

InChI

InChI=1S/C18H18N4O2S2/c1-3-9-22-17(15-8-5-10-25-15)20-21-18(22)26-12-16(23)19-13-6-4-7-14(11-13)24-2/h3-8,10-11H,1,9,12H2,2H3,(H,19,23)

InChI Key

ANQXJJKRASYIDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.828

Distribution Coefficient, logD

3.828

Water Solubility, LogSw

-3.97

Polar Surface Area

55.931

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8013-0292 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8013-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0292?
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What is the minimum amount of 8013-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0292
  • 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 8013-0292 available by request