2137-1018 Screening compound: 4-[(3-methylphenyl)carbamoyl]butanoic acid

2137-1018 Screening compound: 4-[(3-methylphenyl)carbamoyl]butanoic acid
2137-1018 Screening compound: 4-[(3-methylphenyl)carbamoyl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2137-1018
4-[(3-methylphenyl)carbamoyl]butanoic 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

2137-1018

Molecular Formula

C12H15NO3 (C12 H15 NO3)

Compound Name

4-[(3-methylphenyl)carbamoyl]butanoic acid

IUPAC name

4-[(3-methylphenyl)carbamoyl]butanoic acid

SMILES

Cc1cccc(NC(CCCC(O)=O)=O)c1

InChI

InChI=1S/C12H15NO3/c1-9-4-2-5-10(8-9)13-11(14)6-3-7-12(15)16/h2,4-5,8H,3,6-7H2,1H3,(H,13,14)(H,15,16)

InChI Key

MPKHVCFQBHNIHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00029871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.190

Distribution Coefficient, logD

-1.407

Water Solubility, LogSw

-1.90

Polar Surface Area

51.772

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 2137-1018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2137-1018?
Check Price and Availability of 2137-1018, 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 2137-1018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2137-1018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2137-1018
  • 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 2137-1018 available by request