D116-0242 Screening compound: N-[(furan-2-yl)methyl]-1-(4-methylbenzenesulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine

D116-0242 Screening compound: N-[(furan-2-yl)methyl]-1-(4-methylbenzenesulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
D116-0242 Screening compound: N-[(furan-2-yl)methyl]-1-(4-methylbenzenesulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D116-0242
N-[(furan-2-yl)methyl]-1-(4-methylbenzenesulfonyl)-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

D116-0242

Molecular Formula

C19H17N5O3S (C19 H17 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S(n1nc(-c2cnccc2)nc1NCc1ccco1)(=O)=O

InChI

InChI=1S/C19H17N5O3S/c1-14-6-8-17(9-7-14)28(25,26)24-19(21-13-16-5-3-11-27-16)22-18(23-24)15-4-2-10-20-12-15/h2-12H,13H2,1H3,(H,21,22,23)

InChI Key

CMNUEIARHAXUPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07393303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

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

3.081

Distribution Coefficient, logD

2.749

Water Solubility, LogSw

-3.20

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

10.50

References: we are preparing a list of scientific research reports with D116-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0242?
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What is the minimum amount of D116-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0242
  • 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 D116-0242 available by request