4393-0128 Screening compound: 4-benzoyl-1-(1,3-benzothiazol-2-yl)-5-(4-bromophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one

4393-0128 Screening compound: 4-benzoyl-1-(1,3-benzothiazol-2-yl)-5-(4-bromophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
4393-0128 Screening compound: 4-benzoyl-1-(1,3-benzothiazol-2-yl)-5-(4-bromophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4393-0128
4-benzoyl-1-(1,3-benzothiazol-2-yl)-5-(4-bromophenyl)-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

4393-0128

Molecular Formula

C24H15BrN2O3S (C24 H15 BrN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

OC(C(N(C1c(cc2)ccc2Br)c2nc(cccc3)c3s2)=O)=C1C(c1ccccc1)=O

InChI

InChI=1S/C24H15BrN2O3S/c25-16-12-10-14(11-13-16)20-19(21(28)15-6-2-1-3-7-15)22(29)23(30)27(20)24-26-17-8-4-5-9-18(17)31-24/h1-13,20,29H/t20-/m1/s1

InChI Key

SWDCJJOYCPSZPI-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14710040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.683

Distribution Coefficient, logD

5.540

Water Solubility, LogSw

-5.81

Polar Surface Area

53.751

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-6.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.20

4393-0128 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 4393-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4393-0128?
Check Price and Availability of 4393-0128, 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 4393-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4393-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4393-0128
  • 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 4393-0128 available by request