8009-8887 Screening compound: methyl 2-[(2-{[2-(propionylamino)benzoyl]oxy}acetyl)amino]-1,3-benzothiazole-6-carboxylate

8009-8887 Screening compound: methyl 2-[(2-{[2-(propionylamino)benzoyl]oxy}acetyl)amino]-1,3-benzothiazole-6-carboxylate
8009-8887 Screening compound: methyl 2-[(2-{[2-(propionylamino)benzoyl]oxy}acetyl)amino]-1,3-benzothiazole-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8887
methyl 2-[(2-{[2-(propionylamino)benzoyl]oxy}acetyl)amino]-1,3-benzothiazole-6-carboxylate

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

8009-8887

Molecular Formula

C21H19N3O6S (C21 H19 N3 O6 S)

Compound Name

methyl 2-[(2-{[2-(propionylamino)benzoyl]oxy}acetyl)amino]-1,3-benzothiazole-6-carboxylate

IUPAC name

methyl 2-[2-(2-propanamidobenzoyloxy)acetamido]-13-benzothiazole-6-carboxylate

SMILES

CCC(Nc(cccc1)c1C(OCC(Nc1nc(ccc(C(OC)=O)c2)c2s1)=O)=O)=O

InChI

InChI=1S/C21H19N3O6S/c1-3-17(25)22-14-7-5-4-6-13(14)20(28)30-11-18(26)24-21-23-15-9-8-12(19(27)29-2)10-16(15)31-21/h4-10H,3,11H2,1-2H3,(H,22,25)(H,23,24,26)

InChI Key

WLHOXKXZUNGAIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.547

Distribution Coefficient, logD

3.538

Water Solubility, LogSw

-3.74

Polar Surface Area

97.632

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

8009-8887 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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 8009-8887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8887?
Check Price and Availability of 8009-8887, 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 8009-8887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8887
  • 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 8009-8887 available by request