4622-8560 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-(4-chlorobenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one

4622-8560 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-(4-chlorobenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
4622-8560 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-(4-chlorobenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4622-8560
1-(1,3-benzothiazol-2-yl)-4-(4-chlorobenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one

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

4622-8560

Molecular Formula

C26H19ClN2O5S (C26 H19 ClN2 O5 S)

Compound Name

1-(1,3-benzothiazol-2-yl)-4-(4-chlorobenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

1-(13-benzothiazol-2-yl)-4-(4-chlorobenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-25-dihydro-1H-pyrrol-2-one

SMILES

CCOc(cc(C(C(C(c(cc1)ccc1Cl)=O)=C(C1=O)O)N1c1nc(cccc2)c2s1)cc1)c1O

InChI

InChI=1S/C26H19ClN2O5S/c1-2-34-19-13-15(9-12-18(19)30)22-21(23(31)14-7-10-16(27)11-8-14)24(32)25(33)29(22)26-28-17-5-3-4-6-20(17)35-26/h3-13,22,30,32H,2H2,1H3/t22-/m1/s1

InChI Key

SAQRGKHYTDGLFS-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03188704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.313

Distribution Coefficient, logD

5.171

Water Solubility, LogSw

-5.79

Polar Surface Area

77.509

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-5.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

4622-8560 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 4622-8560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4622-8560?
Check Price and Availability of 4622-8560, 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 4622-8560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4622-8560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4622-8560
  • 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 4622-8560 available by request