1482-0006 Screening compound: 2-[(3-methylphenyl)methyl]butanedioic acid

1482-0006 Screening compound: 2-[(3-methylphenyl)methyl]butanedioic acid
1482-0006 Screening compound: 2-[(3-methylphenyl)methyl]butanedioic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1482-0006
2-[(3-methylphenyl)methyl]butanedioic 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

1482-0006

Molecular Formula

C12H14O4 (C12 H14 O4)

Compound Name

2-[(3-methylphenyl)methyl]butanedioic acid

IUPAC name

2-[(3-methylphenyl)methyl]butanedioic acid

SMILES

Cc1cccc(CC(CC(O)=O)C(O)=O)c1

InChI

InChI=1S/C12H14O4/c1-8-3-2-4-9(5-8)6-10(12(15)16)7-11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)(H,15,16)/t10-/m1/s1

InChI Key

OHQFGTDAUDLCBG-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD00582475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.24

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

1.242

Distribution Coefficient, logD

-1.732

Water Solubility, LogSw

-1.40

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

33.30

1482-0006 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1482-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1482-0006?
Check Price and Availability of 1482-0006, 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 1482-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1482-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1482-0006
  • 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 1482-0006 available by request