E157-4412 Screening compound: N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclohexanecarboxamide

E157-4412 Screening compound: N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclohexanecarboxamide
E157-4412 Screening compound: N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-4412
N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclohexanecarboxamide

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

E157-4412

Molecular Formula

C17H19N5OS (C17 H19 N5 OS)

Compound Name

N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclohexanecarboxamide

IUPAC name

N-[3-(2-methylphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]cyclohexanecarboxamide

SMILES

Cc(cccc1)c1-c1nnc2sc(NC(C3CCCCC3)=O)nn12

InChI

InChI=1S/C17H19N5OS/c1-11-7-5-6-10-13(11)14-19-20-17-22(14)21-16(24-17)18-15(23)12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H,18,21,23)

InChI Key

DSHDQZMZDVJNJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.568

Distribution Coefficient, logD

3.564

Water Solubility, LogSw

-3.73

Polar Surface Area

57.317

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

E157-4412 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with E157-4412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-4412?
Check Price and Availability of E157-4412, 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 E157-4412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-4412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-4412
  • 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 E157-4412 available by request