D731-0414 Screening compound: 2-[1-(2,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-5-(furan-2-yl)-1,3,4-oxadiazole

D731-0414 Screening compound: 2-[1-(2,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-5-(furan-2-yl)-1,3,4-oxadiazole
D731-0414 Screening compound: 2-[1-(2,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-5-(furan-2-yl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0414
2-[1-(2,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-5-(furan-2-yl)-1,3,4-oxadiazole

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

D731-0414

Molecular Formula

C17H15N5O2 (C17 H15 N5 O2)

Compound Name

2-[1-(2,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-5-(furan-2-yl)-1,3,4-oxadiazole

IUPAC name

2-[1-(24-dimethylphenyl)-5-methyl-1H-123-triazol-4-yl]-5-(furan-2-yl)-134-oxadiazole

SMILES

Cc1c(-c2nnc(-c3ccco3)o2)nnn1-c1c(C)cc(C)cc1

InChI

InChI=1S/C17H15N5O2/c1-10-6-7-13(11(2)9-10)22-12(3)15(18-21-22)17-20-19-16(24-17)14-5-4-8-23-14/h4-9H,1-3H3

InChI Key

YKYRULGDDBQPNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09874584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.070

Distribution Coefficient, logD

3.070

Water Solubility, LogSw

-3.05

Polar Surface Area

65.603

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D731-0414 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with D731-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0414?
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What is the minimum amount of D731-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0414
  • 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 D731-0414 available by request