C505-0243 Screening compound: ethyl 2-[(4-fluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate

C505-0243 Screening compound: ethyl 2-[(4-fluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate
C505-0243 Screening compound: ethyl 2-[(4-fluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C505-0243
ethyl 2-[(4-fluoro-1,3-benzothiazol-2-yl)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

C505-0243

Molecular Formula

C17H12FN3O2S2 (C17 H12 FN3 O2 S2)

Compound Name

ethyl 2-[(4-fluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate

IUPAC name

ethyl 2-[(4-fluoro-13-benzothiazol-2-yl)amino]-13-benzothiazole-6-carboxylate

SMILES

CCOC(c(cc1)cc2c1nc(Nc1nc(c(F)ccc3)c3s1)s2)=O

InChI

InChI=1S/C17H12FN3O2S2/c1-2-23-15(22)9-6-7-11-13(8-9)25-16(19-11)21-17-20-14-10(18)4-3-5-12(14)24-17/h3-8H,2H2,1H3,(H,19,20,21)

InChI Key

CXQOZWQLOLVIOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05892681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.972

Distribution Coefficient, logD

5.972

Water Solubility, LogSw

-5.54

Polar Surface Area

50.198

Acid Dissociation Constant (pKa)

18.72

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

C505-0243 in Drug Discovery

Included in Screening Libraries

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C505-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C505-0243?
Check Price and Availability of C505-0243, 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 C505-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C505-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C505-0243
  • 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 C505-0243 available by request