4340-1441 Screening compound: 5-(3-bromophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one

4340-1441 Screening compound: 5-(3-bromophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one
4340-1441 Screening compound: 5-(3-bromophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-1441
5-(3-bromophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-[(pyridin-3-yl)methyl]-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

4340-1441

Molecular Formula

C24H19BrN2O3 (C24 H19 BrN2 O3)

Compound Name

5-(3-bromophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

5-(3-bromophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-[(pyridin-3-yl)methyl]-25-dihydro-1H-pyrrol-2-one

SMILES

Cc(cc1)ccc1C(C(C(c1cccc(Br)c1)N(Cc1cnccc1)C1=O)=C1O)=O

InChI

InChI=1S/C24H19BrN2O3/c1-15-7-9-17(10-8-15)22(28)20-21(18-5-2-6-19(25)12-18)27(24(30)23(20)29)14-16-4-3-11-26-13-16/h2-13,21,29H,14H2,1H3/t21-/m1/s1

InChI Key

JWQRTMJGIJYHAC-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD02992282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.019

Distribution Coefficient, logD

4.016

Water Solubility, LogSw

-3.74

Polar Surface Area

54.345

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

4340-1441 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4340-1441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-1441?
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What is the minimum amount of 4340-1441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-1441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-1441
  • 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 4340-1441 available by request