3042-4940 Screening compound: 4-(4-bromobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-2-one

3042-4940 Screening compound: 4-(4-bromobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-2-one
3042-4940 Screening compound: 4-(4-bromobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3042-4940
4-(4-bromobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-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

3042-4940

Molecular Formula

C25H17BrF3NO4 (C25 H17 BrF3 NO4)

Compound Name

4-(4-bromobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-(4-bromobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-25-dihydro-1H-pyrrol-2-one

SMILES

COc1ccc(C(C(C(c(cc2)ccc2Br)=O)=C(C2=O)O)N2c2cc(C(F)(F)F)ccc2)cc1

InChI

InChI=1S/C25H17BrF3NO4/c1-34-19-11-7-14(8-12-19)21-20(22(31)15-5-9-17(26)10-6-15)23(32)24(33)30(21)18-4-2-3-16(13-18)25(27,28)29/h2-13,21,32H,1H3/t21-/m1/s1

InChI Key

HZLINTMBPGABGV-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01541710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.725

Distribution Coefficient, logD

5.724

Water Solubility, LogSw

-5.57

Polar Surface Area

51.759

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-7.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

3042-4940 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 3042-4940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3042-4940?
Check Price and Availability of 3042-4940, 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 3042-4940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3042-4940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3042-4940
  • 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 3042-4940 available by request