7397-0486 Screening compound: N-(2-methyl-4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)furan-2-carboxamide

7397-0486 Screening compound: N-(2-methyl-4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)furan-2-carboxamide
7397-0486 Screening compound: N-(2-methyl-4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7397-0486
N-(2-methyl-4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)furan-2-carboxamide

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

7397-0486

Molecular Formula

C16H13N5O2S (C16 H13 N5 O2 S)

Compound Name

N-(2-methyl-4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)furan-2-carboxamide

IUPAC name

N-(2-methyl-4-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)furan-2-carboxamide

SMILES

Cc1nnc2sc(-c(cc3)cc(C)c3NC(c3ccco3)=O)nn12

InChI

InChI=1S/C16H13N5O2S/c1-9-8-11(15-20-21-10(2)18-19-16(21)24-15)5-6-12(9)17-14(22)13-4-3-7-23-13/h3-8H,1-2H3,(H,17,22)

InChI Key

CPXDAUMNORDHNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05238788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.953

Distribution Coefficient, logD

1.953

Water Solubility, LogSw

-2.55

Polar Surface Area

65.742

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

7397-0486 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7397-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7397-0486?
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What is the minimum amount of 7397-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7397-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7397-0486
  • 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 7397-0486 available by request