D351-2744 Screening compound: 1-(3-chlorophenyl)-5-(4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)-1H-1,2,4-triazole

D351-2744 Screening compound: 1-(3-chlorophenyl)-5-(4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)-1H-1,2,4-triazole
D351-2744 Screening compound: 1-(3-chlorophenyl)-5-(4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D351-2744
1-(3-chlorophenyl)-5-(4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)-1H-1,2,4-triazole

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

D351-2744

Molecular Formula

C20H19ClN4O2 (C20 H19 ClN4 O2)

Compound Name

1-(3-chlorophenyl)-5-(4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)-1H-1,2,4-triazole

IUPAC name

1-(3-chlorophenyl)-5-(4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)-1H-124-triazole

SMILES

COc(cc1)ccc1-c1nc(C(N2CCCC2)=O)nn1-c1cccc(Cl)c1

InChI

InChI=1S/C20H19ClN4O2/c1-27-17-9-7-14(8-10-17)19-22-18(20(26)24-11-2-3-12-24)23-25(19)16-6-4-5-15(21)13-16/h4-10,13H,2-3,11-12H2,1H3

InChI Key

HGKPBMMZAAIYBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27581317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.432

Distribution Coefficient, logD

4.432

Water Solubility, LogSw

-4.60

Polar Surface Area

48.447

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D351-2744 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D351-2744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D351-2744?
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What is the minimum amount of D351-2744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D351-2744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D351-2744
  • 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 D351-2744 available by request