D116-0241 Screening compound: 1-(benzenesulfonyl)-N-[(furan-2-yl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine

D116-0241 Screening compound: 1-(benzenesulfonyl)-N-[(furan-2-yl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
D116-0241 Screening compound: 1-(benzenesulfonyl)-N-[(furan-2-yl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D116-0241
1-(benzenesulfonyl)-N-[(furan-2-yl)methyl]-3-(pyridin-3-yl)-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

D116-0241

Molecular Formula

C18H15N5O3S (C18 H15 N5 O3 S)

Compound Name

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

IUPAC name

1-(benzenesulfonyl)-N-[(furan-2-yl)methyl]-3-(pyridin-3-yl)-1H-124-triazol-5-amine

SMILES

O=S(c1ccccc1)(n1nc(-c2cnccc2)nc1NCc1ccco1)=O

InChI

InChI=1S/C18H15N5O3S/c24-27(25,16-8-2-1-3-9-16)23-18(20-13-15-7-5-11-26-15)21-17(22-23)14-6-4-10-19-12-14/h1-12H,13H2,(H,20,21,22)

InChI Key

PJYHKMGRDJGZTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06629933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.473

Distribution Coefficient, logD

2.141

Water Solubility, LogSw

-2.55

Polar Surface Area

79.500

Acid Dissociation Constant (pKa)

17.20

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with D116-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0241?
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What is the minimum amount of D116-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0241
  • 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 D116-0241 available by request