E744-0071 Screening compound: 2-{5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}-N-(2-chloro-4-methylphenyl)acetamide

E744-0071 Screening compound: 2-{5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}-N-(2-chloro-4-methylphenyl)acetamide
E744-0071 Screening compound: 2-{5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}-N-(2-chloro-4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E744-0071
2-{5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}-N-(2-chloro-4-methylphenyl)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

E744-0071

Molecular Formula

C20H18ClN7O2 (C20 H18 ClN7 O2)

Compound Name

2-{5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}-N-(2-chloro-4-methylphenyl)acetamide

IUPAC name

2-{5-amino-4-[3-(4-methylphenyl)-124-oxadiazol-5-yl]-1H-123-triazol-1-yl}-N-(2-chloro-4-methylphenyl)acetamide

SMILES

Cc(cc1)ccc1-c1noc(-c2c(N)n(CC(Nc(ccc(C)c3)c3Cl)=O)nn2)n1

InChI

InChI=1S/C20H18ClN7O2/c1-11-3-6-13(7-4-11)19-24-20(30-26-19)17-18(22)28(27-25-17)10-16(29)23-15-8-5-12(2)9-14(15)21/h3-9H,10,22H2,1-2H3,(H,23,29)

InChI Key

IVSJPIWQGFOYKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.722

Distribution Coefficient, logD

3.722

Water Solubility, LogSw

-4.06

Polar Surface Area

100.054

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E744-0071 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with E744-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E744-0071?
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What is the minimum amount of E744-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E744-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E744-0071
  • 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 E744-0071 available by request