7626-2063 Screening compound: methyl 4-[3-(1,3-benzothiazol-2-yl)-4-oxo-1,3-thiazolidin-2-yl]benzoate

7626-2063 Screening compound: methyl 4-[3-(1,3-benzothiazol-2-yl)-4-oxo-1,3-thiazolidin-2-yl]benzoate
7626-2063 Screening compound: methyl 4-[3-(1,3-benzothiazol-2-yl)-4-oxo-1,3-thiazolidin-2-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7626-2063
methyl 4-[3-(1,3-benzothiazol-2-yl)-4-oxo-1,3-thiazolidin-2-yl]benzoate

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

7626-2063

Molecular Formula

C18H14N2O3S2 (C18 H14 N2 O3 S2)

Compound Name

methyl 4-[3-(1,3-benzothiazol-2-yl)-4-oxo-1,3-thiazolidin-2-yl]benzoate

IUPAC name

methyl 4-[3-(13-benzothiazol-2-yl)-4-oxo-13-thiazolidin-2-yl]benzoate

SMILES

COC(c1ccc(C(N2c3nc(cccc4)c4s3)SCC2=O)cc1)=O

InChI

InChI=1S/C18H14N2O3S2/c1-23-17(22)12-8-6-11(7-9-12)16-20(15(21)10-24-16)18-19-13-4-2-3-5-14(13)25-18/h2-9,16H,10H2,1H3/t16-/m0/s1

InChI Key

JADYWCQWNRDZCA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14712936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.265

Distribution Coefficient, logD

4.265

Water Solubility, LogSw

-4.42

Polar Surface Area

46.842

Acid Dissociation Constant (pKa)

16.82

Base Dissociation Constant (pKb)

-5.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

7626-2063 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 7626-2063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7626-2063?
Check Price and Availability of 7626-2063, 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 7626-2063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7626-2063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7626-2063
  • 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 7626-2063 available by request