8014-1231 Screening compound: N-(3,4-difluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

8014-1231 Screening compound: N-(3,4-difluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
8014-1231 Screening compound: N-(3,4-difluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1231
N-(3,4-difluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-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

8014-1231

Molecular Formula

C18H15F2N5OS (C18 H15 F2 N5 OS)

Compound Name

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

IUPAC name

N-(34-difluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

C=CCn1c(SCC(Nc(cc2)cc(F)c2F)=O)nnc1-c1cnccc1

InChI

InChI=1S/C18H15F2N5OS/c1-2-8-25-17(12-4-3-7-21-10-12)23-24-18(25)27-11-16(26)22-13-5-6-14(19)15(20)9-13/h2-7,9-10H,1,8,11H2,(H,22,26)

InChI Key

RIBXXEUHEHBSNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03611822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.917

Distribution Coefficient, logD

2.897

Water Solubility, LogSw

-3.20

Polar Surface Area

56.886

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8014-1231 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 8014-1231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1231?
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What is the minimum amount of 8014-1231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1231
  • 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 8014-1231 available by request