D331-0570 Screening compound: N-[(3-chlorophenyl)methyl]-3-(furan-2-yl)-1-(naphthalene-2-sulfonyl)-1H-1,2,4-triazol-5-amine

D331-0570 Screening compound: N-[(3-chlorophenyl)methyl]-3-(furan-2-yl)-1-(naphthalene-2-sulfonyl)-1H-1,2,4-triazol-5-amine
D331-0570 Screening compound: N-[(3-chlorophenyl)methyl]-3-(furan-2-yl)-1-(naphthalene-2-sulfonyl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D331-0570
N-[(3-chlorophenyl)methyl]-3-(furan-2-yl)-1-(naphthalene-2-sulfonyl)-1H-1,2,4-triazol-5-amine

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

D331-0570

Molecular Formula

C23H17ClN4O3S (C23 H17 ClN4 O3 S)

Compound Name

N-[(3-chlorophenyl)methyl]-3-(furan-2-yl)-1-(naphthalene-2-sulfonyl)-1H-1,2,4-triazol-5-amine

IUPAC name

N-[(3-chlorophenyl)methyl]-3-(furan-2-yl)-1-(naphthalene-2-sulfonyl)-1H-124-triazol-5-amine

SMILES

O=S(c1cc2ccccc2cc1)(n1nc(-c2ccco2)nc1NCc1cccc(Cl)c1)=O

InChI

InChI=1S/C23H17ClN4O3S/c24-19-8-3-5-16(13-19)15-25-23-26-22(21-9-4-12-31-21)27-28(23)32(29,30)20-11-10-17-6-1-2-7-18(17)14-20/h1-14H,15H2,(H,25,26,27)

InChI Key

MKUVICPSNWMIOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.153

Distribution Coefficient, logD

5.153

Water Solubility, LogSw

-5.89

Polar Surface Area

70.540

Acid Dissociation Constant (pKa)

17.42

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

D331-0570 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D331-0570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0570?
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What is the minimum amount of D331-0570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0570
  • 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 D331-0570 available by request