8012-1469 Screening compound: 1-(4-bromo-2-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid

8012-1469 Screening compound: 1-(4-bromo-2-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid
8012-1469 Screening compound: 1-(4-bromo-2-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-1469
1-(4-bromo-2-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid

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

8012-1469

Molecular Formula

C12H12BrNO3 (C12 H12 BrNO3)

Compound Name

1-(4-bromo-2-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid

IUPAC name

1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

SMILES

Cc(cc(cc1)Br)c1N(CC(C1)C(O)=O)C1=O

InChI

InChI=1S/C12H12BrNO3/c1-7-4-9(13)2-3-10(7)14-6-8(12(16)17)5-11(14)15/h2-4,8H,5-6H2,1H3,(H,16,17)/t8-/m1/s1

InChI Key

XZOKUZNXZRYKBF-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD02934080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.14

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.900

Distribution Coefficient, logD

-0.460

Water Solubility, LogSw

-2.21

Polar Surface Area

45.096

Acid Dissociation Constant (pKa)

5.04

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

8012-1469 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8012-1469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-1469?
Check Price and Availability of 8012-1469, 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 8012-1469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-1469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-1469
  • 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 8012-1469 available by request