6228-0291 Screening compound: 4-{[(pyridin-3-yl)methyl]carbamoyl}butanoic acid

6228-0291 Screening compound: 4-{[(pyridin-3-yl)methyl]carbamoyl}butanoic acid
6228-0291 Screening compound: 4-{[(pyridin-3-yl)methyl]carbamoyl}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-0291
4-{[(pyridin-3-yl)methyl]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

6228-0291

Molecular Formula

C11H14N2O3 (C11 H14 N2 O3)

Compound Name

4-{[(pyridin-3-yl)methyl]carbamoyl}butanoic acid

IUPAC name

4-{[(pyridin-3-yl)methyl]carbamoyl}butanoic acid

SMILES

OC(CCCC(NCc1cnccc1)=O)=O

InChI

InChI=1S/C11H14N2O3/c14-10(4-1-5-11(15)16)13-8-9-3-2-6-12-7-9/h2-3,6-7H,1,4-5,8H2,(H,13,14)(H,15,16)

InChI Key

SXSCHGUGDREEIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00030893

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

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.697

Distribution Coefficient, logD

-3.295

Water Solubility, LogSw

-0.77

Polar Surface Area

62.612

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

6228-0291 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Structure:
  • Pool
Targets:
  • Others

References: we are preparing a list of scientific research reports with 6228-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-0291?
Check Price and Availability of 6228-0291, 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 6228-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-0291
  • 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 6228-0291 available by request