4530-7245 Screening compound: 1-(1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(4-methylbenzoyl)-2,5-dihydro-1H-pyrrol-2-one

4530-7245 Screening compound: 1-(1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(4-methylbenzoyl)-2,5-dihydro-1H-pyrrol-2-one
4530-7245 Screening compound: 1-(1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(4-methylbenzoyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4530-7245
1-(1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(4-methylbenzoyl)-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

4530-7245

Molecular Formula

C26H20N2O4S (C26 H20 N2 O4 S)

Compound Name

1-(1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(4-methylbenzoyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

1-(13-benzothiazol-2-yl)-3-hydroxy-5-(3-methoxyphenyl)-4-(4-methylbenzoyl)-25-dihydro-1H-pyrrol-2-one

SMILES

Cc(cc1)ccc1C(C(C(c1cc(OC)ccc1)N(C1=O)c2nc(cccc3)c3s2)=C1O)=O

InChI

InChI=1S/C26H20N2O4S/c1-15-10-12-16(13-11-15)23(29)21-22(17-6-5-7-18(14-17)32-2)28(25(31)24(21)30)26-27-19-8-3-4-9-20(19)33-26/h3-14,22,30H,1-2H3/t22-/m1/s1

InChI Key

XVHIYMPLOIENNY-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03292019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.397

Distribution Coefficient, logD

5.255

Water Solubility, LogSw

-5.31

Polar Surface Area

61.295

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-5.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

4530-7245 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 4530-7245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4530-7245?
Check Price and Availability of 4530-7245, 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 4530-7245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4530-7245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4530-7245
  • 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 4530-7245 available by request