D331-0676 Screening compound: N-[(4-bromophenyl)methyl]-3-(furan-2-yl)-1-methanesulfonyl-1H-1,2,4-triazol-5-amine

D331-0676 Screening compound: N-[(4-bromophenyl)methyl]-3-(furan-2-yl)-1-methanesulfonyl-1H-1,2,4-triazol-5-amine
D331-0676 Screening compound: N-[(4-bromophenyl)methyl]-3-(furan-2-yl)-1-methanesulfonyl-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D331-0676
N-[(4-bromophenyl)methyl]-3-(furan-2-yl)-1-methanesulfonyl-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

D331-0676

Molecular Formula

C14H13BrN4O3S (C14 H13 BrN4 O3 S)

Compound Name

N-[(4-bromophenyl)methyl]-3-(furan-2-yl)-1-methanesulfonyl-1H-1,2,4-triazol-5-amine

IUPAC name

N-[(4-bromophenyl)methyl]-3-(furan-2-yl)-1-methanesulfonyl-1H-124-triazol-5-amine

SMILES

CS(n1nc(-c2ccco2)nc1NCc(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C14H13BrN4O3S/c1-23(20,21)19-14(16-9-10-4-6-11(15)7-5-10)17-13(18-19)12-3-2-8-22-12/h2-8H,9H2,1H3,(H,16,17,18)

InChI Key

JDEVORHBNJHFPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

2.534

Water Solubility, LogSw

-2.86

Polar Surface Area

70.576

Acid Dissociation Constant (pKa)

16.76

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D331-0676 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D331-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0676?
Check Price and Availability of D331-0676, 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 D331-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0676
  • 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 D331-0676 available by request