1482-0001 Screening compound: 2-benzylbutanedioic acid

1482-0001 Screening compound: 2-benzylbutanedioic acid
1482-0001 Screening compound: 2-benzylbutanedioic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1482-0001
2-benzylbutanedioic 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

1482-0001

Molecular Formula

C11H12O4 (C11 H12 O4)

Compound Name

2-benzylbutanedioic acid

IUPAC name

2-benzylbutanedioic acid

SMILES

OC(CC(Cc1ccccc1)C(O)=O)=O

InChI

InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m1/s1

InChI Key

GTOFKXZQQDSVFH-SECBINFHSA-N

MDL Number (MFCD)

MFCD00055798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

208.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.581

Distribution Coefficient, logD

-2.393

Water Solubility, LogSw

-1.23

Polar Surface Area

57.030

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

1482-0001 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Human Proteases Annotated Library (2868 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1482-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1482-0001?
Check Price and Availability of 1482-0001, 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 1482-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1482-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1482-0001
  • 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 1482-0001 available by request