D451-0978 Screening compound: N-(4-methoxyphenyl)-2-[(6-{[(3-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

D451-0978 Screening compound: N-(4-methoxyphenyl)-2-[(6-{[(3-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
D451-0978 Screening compound: N-(4-methoxyphenyl)-2-[(6-{[(3-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D451-0978
N-(4-methoxyphenyl)-2-[(6-{[(3-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]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

D451-0978

Molecular Formula

C24H22N4O3S2 (C24 H22 N4 O3 S2)

Compound Name

N-(4-methoxyphenyl)-2-[(6-{[(3-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-(4-methoxyphenyl)-2-[(6-{[(3-methylphenyl)carbamoyl]amino}-13-benzothiazol-2-yl)sulfanyl]acetamide

SMILES

Cc1cccc(NC(Nc(cc2)cc3c2nc(SCC(Nc(cc2)ccc2OC)=O)s3)=O)c1

InChI

InChI=1S/C24H22N4O3S2/c1-15-4-3-5-17(12-15)26-23(30)27-18-8-11-20-21(13-18)33-24(28-20)32-14-22(29)25-16-6-9-19(31-2)10-7-16/h3-13H,14H2,1-2H3,(H,25,29)(H2,26,27,30)

InChI Key

TVAAANWNCQZQEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.132

Distribution Coefficient, logD

6.132

Water Solubility, LogSw

-5.42

Polar Surface Area

72.044

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D451-0978 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D451-0978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D451-0978?
Check Price and Availability of D451-0978, 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 D451-0978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D451-0978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D451-0978
  • 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 D451-0978 available by request