6574-0256 Screening compound: 4-tert-butyl-N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]benzamide

6574-0256 Screening compound: 4-tert-butyl-N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]benzamide
6574-0256 Screening compound: 4-tert-butyl-N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6574-0256
4-tert-butyl-N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]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

6574-0256

Molecular Formula

C19H18ClN3OS (C19 H18 ClN3 OS)

Compound Name

4-tert-butyl-N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]benzamide

IUPAC name

4-tert-butyl-N-[5-(4-chlorophenyl)-124-thiadiazol-3-yl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1nsc(-c(cc2)ccc2Cl)n1)=O

InChI

InChI=1S/C19H18ClN3OS/c1-19(2,3)14-8-4-12(5-9-14)16(24)21-18-22-17(25-23-18)13-6-10-15(20)11-7-13/h4-11H,1-3H3,(H,21,23,24)

InChI Key

XXPDAYLTJMLIFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05866534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.292

Distribution Coefficient, logD

6.290

Water Solubility, LogSw

-6.35

Polar Surface Area

45.011

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

6574-0256 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Angiogenesis library (14822 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6574-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6574-0256?
Check Price and Availability of 6574-0256, 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 6574-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6574-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6574-0256
  • 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 6574-0256 available by request