4530-7170 Screening compound: 4-acetyl-5-(4-bromophenyl)-3-hydroxy-1-(3-pyridylmethyl)-1,5-dihydro-2H-pyrrol-2-one

4530-7170 Screening compound: 4-acetyl-5-(4-bromophenyl)-3-hydroxy-1-(3-pyridylmethyl)-1,5-dihydro-2H-pyrrol-2-one
4530-7170 Screening compound: 4-acetyl-5-(4-bromophenyl)-3-hydroxy-1-(3-pyridylmethyl)-1,5-dihydro-2H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4530-7170
4-acetyl-5-(4-bromophenyl)-3-hydroxy-1-(3-pyridylmethyl)-1,5-dihydro-2H-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

4530-7170

Molecular Formula

C18H15BrN2O3 (C18 H15 BrN2 O3)

Compound Name

4-acetyl-5-(4-bromophenyl)-3-hydroxy-1-(3-pyridylmethyl)-1,5-dihydro-2H-pyrrol-2-one

IUPAC name

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

SMILES

CC(C(C(c(cc1)ccc1Br)N(Cc1cnccc1)C1=O)=C1O)=O

InChI

InChI=1S/C18H15BrN2O3/c1-11(22)15-16(13-4-6-14(19)7-5-13)21(18(24)17(15)23)10-12-3-2-8-20-9-12/h2-9,16,23H,10H2,1H3/t16-/m1/s1

InChI Key

XUFVTJAZERLTGY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD03295658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.23

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

1.902

Distribution Coefficient, logD

1.897

Water Solubility, LogSw

-1.73

Polar Surface Area

54.704

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

4530-7170 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4530-7170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4530-7170?
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What is the minimum amount of 4530-7170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4530-7170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4530-7170
  • 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 4530-7170 available by request