C852-0068 Screening compound: 2-(2-METHYL-1,3-BENZOTHIAZOLE-6-SULFONAMIDO)-2-PHENYL-N-[(THIOPHEN-2-YL)METHYL]ACETAMIDE

C852-0068 Screening compound: 2-(2-METHYL-1,3-BENZOTHIAZOLE-6-SULFONAMIDO)-2-PHENYL-N-[(THIOPHEN-2-YL)METHYL]ACETAMIDE
C852-0068 Screening compound: 2-(2-METHYL-1,3-BENZOTHIAZOLE-6-SULFONAMIDO)-2-PHENYL-N-[(THIOPHEN-2-YL)METHYL]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C852-0068
2-(2-METHYL-1,3-BENZOTHIAZOLE-6-SULFONAMIDO)-2-PHENYL-N-[(THIOPHEN-2-YL)METHYL]ACETAMIDE

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

C852-0068

Molecular Formula

C21H19N3O3S3 (C21 H19 N3 O3 S3)

Compound Name

2-(2-METHYL-1,3-BENZOTHIAZOLE-6-SULFONAMIDO)-2-PHENYL-N-[(THIOPHEN-2-YL)METHYL]ACETAMIDE

IUPAC name

n/a

SMILES

Cc1nc(ccc(S(NC(C(NCc2cccs2)=O)c2ccccc2)(=O)=O)c2)c2s1

InChI

InChI=1S/C21H19N3O3S3/c1-14-23-18-10-9-17(12-19(18)29-14)30(26,27)24-20(15-6-3-2-4-7-15)21(25)22-13-16-8-5-11-28-16/h2-12,20,24H,13H2,1H3,(H,22,25)/t20-/m1/s1

InChI Key

LESMOYNYEWEPHZ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14800595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.740

Distribution Coefficient, logD

3.734

Water Solubility, LogSw

-3.92

Polar Surface Area

76.521

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

C852-0068 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C852-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C852-0068?
Check Price and Availability of C852-0068, 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 C852-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C852-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C852-0068
  • 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 C852-0068 available by request