8015-8595 Screening compound: 4-{[2-(1H-1,3-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid

8015-8595 Screening compound: 4-{[2-(1H-1,3-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid
8015-8595 Screening compound: 4-{[2-(1H-1,3-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8595
4-{[2-(1H-1,3-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic 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

8015-8595

Molecular Formula

C13H15N3O3 (C13 H15 N3 O3)

Compound Name

4-{[2-(1H-1,3-benzimidazol-2-yl)ethyl]amino}-4-oxobutanoic acid

IUPAC name

3-{[2-(1H-13-benzodiazol-2-yl)ethyl]carbamoyl}propanoic acid

SMILES

OC(CCC(NCCc1nc(cccc2)c2[nH]1)=O)=O

InChI

InChI=1S/C13H15N3O3/c17-12(5-6-13(18)19)14-8-7-11-15-9-3-1-2-4-10(9)16-11/h1-4H,5-8H2,(H,14,17)(H,15,16)(H,18,19)

InChI Key

SBKCSACAEBNZCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04078942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.142

Distribution Coefficient, logD

-2.807

Water Solubility, LogSw

-1.76

Polar Surface Area

73.217

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

8015-8595 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8015-8595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8595?
Check Price and Availability of 8015-8595, 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 8015-8595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8595
  • 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 8015-8595 available by request