L495-0531 Screening compound: ethyl 3-{[(2-benzamido-1,3-benzothiazol-5-yl)carbamoyl]amino}-3-phenylpropanoate

L495-0531 Screening compound: ethyl 3-{[(2-benzamido-1,3-benzothiazol-5-yl)carbamoyl]amino}-3-phenylpropanoate
L495-0531 Screening compound: ethyl 3-{[(2-benzamido-1,3-benzothiazol-5-yl)carbamoyl]amino}-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L495-0531
ethyl 3-{[(2-benzamido-1,3-benzothiazol-5-yl)carbamoyl]amino}-3-phenylpropanoate

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

L495-0531

Molecular Formula

C26H24N4O4S (C26 H24 N4 O4 S)

Compound Name

ethyl 3-{[(2-benzamido-1,3-benzothiazol-5-yl)carbamoyl]amino}-3-phenylpropanoate

IUPAC name

ethyl 3-{[(2-benzamido-13-benzothiazol-5-yl)carbamoyl]amino}-3-phenylpropanoate

SMILES

CCOC(CC(c1ccccc1)NC(Nc(cc1)cc2c1sc(NC(c1ccccc1)=O)n2)=O)=O

InChI

InChI=1S/C26H24N4O4S/c1-2-34-23(31)16-20(17-9-5-3-6-10-17)28-25(33)27-19-13-14-22-21(15-19)29-26(35-22)30-24(32)18-11-7-4-8-12-18/h3-15,20H,2,16H2,1H3,(H2,27,28,33)(H,29,30,32)/t20-/m0/s1

InChI Key

DBGLTHKDEBZQAT-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15128696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.189

Distribution Coefficient, logD

5.186

Water Solubility, LogSw

-4.99

Polar Surface Area

86.505

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

L495-0531 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with L495-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L495-0531?
Check Price and Availability of L495-0531, 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 L495-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L495-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L495-0531
  • 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 L495-0531 available by request