6040-3337 Screening compound: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(2-methylpropanamido)benzamide

6040-3337 Screening compound: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(2-methylpropanamido)benzamide
6040-3337 Screening compound: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(2-methylpropanamido)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6040-3337
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(2-methylpropanamido)benzamide

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

6040-3337

Molecular Formula

C17H22N4O2S (C17 H22 N4 O2 S)

Compound Name

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(2-methylpropanamido)benzamide

IUPAC name

N-(5-tert-butyl-134-thiadiazol-2-yl)-3-(2-methylpropanamido)benzamide

SMILES

CC(C)C(Nc1cccc(C(Nc2nnc(C(C)(C)C)s2)=O)c1)=O

InChI

InChI=1S/C17H22N4O2S/c1-10(2)13(22)18-12-8-6-7-11(9-12)14(23)19-16-21-20-15(24-16)17(3,4)5/h6-10H,1-5H3,(H,18,22)(H,19,21,23)

InChI Key

XVZMWIPAMXCMAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03638805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.083

Distribution Coefficient, logD

3.338

Water Solubility, LogSw

-4.19

Polar Surface Area

70.237

Acid Dissociation Constant (pKa)

6.74

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

6040-3337 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6040-3337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6040-3337?
Check Price and Availability of 6040-3337, 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 6040-3337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6040-3337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6040-3337
  • 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 6040-3337 available by request