D478-0058 Screening compound: 2-[(6-{[(3-chloro-4-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide

D478-0058 Screening compound: 2-[(6-{[(3-chloro-4-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide
D478-0058 Screening compound: 2-[(6-{[(3-chloro-4-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D478-0058
2-[(6-{[(3-chloro-4-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-[(furan-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

D478-0058

Molecular Formula

C22H19ClN4O3S2 (C22 H19 ClN4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(NC(Nc(cc1)cc2c1nc(SCC(NCc1ccco1)=O)s2)=O)c1)c1Cl

InChI

InChI=1S/C22H19ClN4O3S2/c1-13-4-5-14(9-17(13)23)25-21(29)26-15-6-7-18-19(10-15)32-22(27-18)31-12-20(28)24-11-16-3-2-8-30-16/h2-10H,11-12H2,1H3,(H,24,28)(H2,25,26,29)

InChI Key

YVBZZYNQEXJNHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487

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

6.612

Distribution Coefficient, logD

6.612

Water Solubility, LogSw

-6.23

Polar Surface Area

73.572

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D478-0058 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D478-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D478-0058?
Check Price and Availability of D478-0058, 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 D478-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D478-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D478-0058
  • 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 D478-0058 available by request