7054-0767 Screening compound: 2-propyl-4-[(pyridin-2-yl)carbamoyl]butanoic acid

7054-0767 Screening compound: 2-propyl-4-[(pyridin-2-yl)carbamoyl]butanoic acid
7054-0767 Screening compound: 2-propyl-4-[(pyridin-2-yl)carbamoyl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7054-0767
2-propyl-4-[(pyridin-2-yl)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

7054-0767

Molecular Formula

C13H18N2O3 (C13 H18 N2 O3)

Compound Name

2-propyl-4-[(pyridin-2-yl)carbamoyl]butanoic acid

IUPAC name

2-propyl-4-[(pyridin-2-yl)carbamoyl]butanoic acid

SMILES

CCCC(CCC(Nc1ncccc1)=O)C(O)=O

InChI

InChI=1S/C13H18N2O3/c1-2-5-10(13(17)18)7-8-12(16)15-11-6-3-4-9-14-11/h3-4,6,9-10H,2,5,7-8H2,1H3,(H,17,18)(H,14,15,16)/t10-/m0/s1

InChI Key

LLJGFJIKMPIKJH-JTQLQIEISA-N

MDL Number (MFCD)

MFCD03613381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.672

Distribution Coefficient, logD

-0.657

Water Solubility, LogSw

-2.06

Polar Surface Area

61.411

Acid Dissociation Constant (pKa)

5.07

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

7054-0767 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Proteases
  • Others

References: we are preparing a list of scientific research reports with 7054-0767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7054-0767?
Check Price and Availability of 7054-0767, 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 7054-0767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7054-0767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7054-0767
  • 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 7054-0767 available by request