8010-3951 Screening compound: 4-acetyl-1-(5-bromopyridin-2-yl)-3-hydroxy-5-(3-nitrophenyl)-2,5-dihydro-1H-pyrrol-2-one

8010-3951 Screening compound: 4-acetyl-1-(5-bromopyridin-2-yl)-3-hydroxy-5-(3-nitrophenyl)-2,5-dihydro-1H-pyrrol-2-one
8010-3951 Screening compound: 4-acetyl-1-(5-bromopyridin-2-yl)-3-hydroxy-5-(3-nitrophenyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3951
4-acetyl-1-(5-bromopyridin-2-yl)-3-hydroxy-5-(3-nitrophenyl)-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

8010-3951

Molecular Formula

C17H12BrN3O5 (C17 H12 BrN3 O5)

Compound Name

4-acetyl-1-(5-bromopyridin-2-yl)-3-hydroxy-5-(3-nitrophenyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-acetyl-1-(5-bromopyridin-2-yl)-3-hydroxy-5-(3-nitrophenyl)-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C(C(c1cc([N+]([O-])=O)ccc1)N(C1=O)c(cc2)ncc2Br)=C1O)=O

InChI

InChI=1S/C17H12BrN3O5/c1-9(22)14-15(10-3-2-4-12(7-10)21(25)26)20(17(24)16(14)23)13-6-5-11(18)8-19-13/h2-8,15,23H,1H3/t15-/m1/s1

InChI Key

AKPCABDSQNZFRP-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01872236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.2

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.717

Distribution Coefficient, logD

2.685

Water Solubility, LogSw

-2.68

Polar Surface Area

86.557

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

8010-3951 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 8010-3951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3951?
Check Price and Availability of 8010-3951, 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 8010-3951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3951
  • 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 8010-3951 available by request