D351-2824 Screening compound: 1-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-carbonyl]azepane

D351-2824 Screening compound: 1-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-carbonyl]azepane
D351-2824 Screening compound: 1-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-carbonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound D351-2824
1-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-carbonyl]azepane

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

D351-2824

Molecular Formula

C22H23ClN4O2 (C22 H23 ClN4 O2)

Compound Name

1-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-carbonyl]azepane

IUPAC name

1-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-124-triazole-3-carbonyl]azepane

SMILES

COc(cc1)ccc1-c1nc(C(N2CCCCCC2)=O)nn1-c(cccc1)c1Cl

InChI

InChI=1S/C22H23ClN4O2/c1-29-17-12-10-16(11-13-17)21-24-20(22(28)26-14-6-2-3-7-15-26)25-27(21)19-9-5-4-8-18(19)23/h4-5,8-13H,2-3,6-7,14-15H2,1H3

InChI Key

VWHLLNWEKAJJNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27581357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.9

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

4.997

Distribution Coefficient, logD

4.997

Water Solubility, LogSw

-5.11

Polar Surface Area

48.111

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D351-2824 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 D351-2824 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D351-2824?
Check Price and Availability of D351-2824, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D351-2824 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D351-2824
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D351-2824
  • 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 D351-2824 available by request