D439-0387 Screening compound: N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-1-phenylmethanesulfonamide

D439-0387 Screening compound: N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-1-phenylmethanesulfonamide
D439-0387 Screening compound: N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-1-phenylmethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D439-0387
N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-1-phenylmethanesulfonamide

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

D439-0387

Molecular Formula

C16H15ClN4O2S (C16 H15 ClN4 O2 S)

Compound Name

N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-1-phenylmethanesulfonamide

IUPAC name

N-{1-[(4-chlorophenyl)methyl]-1H-124-triazol-3-yl}-1-phenylmethanesulfonamide

SMILES

O=S(Cc1ccccc1)(Nc1nn(Cc(cc2)ccc2Cl)cn1)=O

InChI

InChI=1S/C16H15ClN4O2S/c17-15-8-6-13(7-9-15)10-21-12-18-16(19-21)20-24(22,23)11-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,19,20)

InChI Key

FAYBYXFJMQGZRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05121219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.042

Distribution Coefficient, logD

1.017

Water Solubility, LogSw

-3.56

Polar Surface Area

67.737

Acid Dissociation Constant (pKa)

5.38

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D439-0387 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D439-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D439-0387?
Check Price and Availability of D439-0387, 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 D439-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D439-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D439-0387
  • 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 D439-0387 available by request