4622-8555 Screening compound: methyl 4-[1-(1,3-benzothiazol-2-yl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate

4622-8555 Screening compound: methyl 4-[1-(1,3-benzothiazol-2-yl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
4622-8555 Screening compound: methyl 4-[1-(1,3-benzothiazol-2-yl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4622-8555
methyl 4-[1-(1,3-benzothiazol-2-yl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-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

4622-8555

Molecular Formula

C26H17ClN2O5S (C26 H17 ClN2 O5 S)

Compound Name

methyl 4-[1-(1,3-benzothiazol-2-yl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate

IUPAC name

methyl 4-[1-(13-benzothiazol-2-yl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-25-dihydro-1H-pyrrol-2-yl]benzoate

SMILES

COC(c1ccc(C(C(C(c(cc2)ccc2Cl)=O)=C(C2=O)O)N2c2nc(cccc3)c3s2)cc1)=O

InChI

InChI=1S/C26H17ClN2O5S/c1-34-25(33)16-8-6-14(7-9-16)21-20(22(30)15-10-12-17(27)13-11-15)23(31)24(32)29(21)26-28-18-4-2-3-5-19(18)35-26/h2-13,21,31H,1H3/t21-/m1/s1

InChI Key

YPRBGGORIUNKEU-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03188700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.639

Distribution Coefficient, logD

5.497

Water Solubility, LogSw

-6.03

Polar Surface Area

74.925

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-6.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.70

4622-8555 in Drug Discovery

Included in Screening Libraries

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 4622-8555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4622-8555?
Check Price and Availability of 4622-8555, 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 4622-8555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4622-8555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4622-8555
  • 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 4622-8555 available by request