6521-0091 Screening compound: 4-(4-carboxy-3-phenylbutanamido)benzoic acid

6521-0091 Screening compound: 4-(4-carboxy-3-phenylbutanamido)benzoic acid
6521-0091 Screening compound: 4-(4-carboxy-3-phenylbutanamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6521-0091
4-(4-carboxy-3-phenylbutanamido)benzoic 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

6521-0091

Molecular Formula

C18H17NO5 (C18 H17 NO5)

Compound Name

4-(4-carboxy-3-phenylbutanamido)benzoic acid

IUPAC name

4-(4-carboxy-3-phenylbutanamido)benzoic acid

SMILES

OC(CC(CC(Nc(cc1)ccc1C(O)=O)=O)c1ccccc1)=O

InChI

InChI=1S/C18H17NO5/c20-16(19-15-8-6-13(7-9-15)18(23)24)10-14(11-17(21)22)12-4-2-1-3-5-12/h1-9,14H,10-11H2,(H,19,20)(H,21,22)(H,23,24)/t14-/m0/s1

InChI Key

VCTGFTXIGXBBLH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03361662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.196

Distribution Coefficient, logD

-0.344

Water Solubility, LogSw

-2.81

Polar Surface Area

79.908

Acid Dissociation Constant (pKa)

4.86

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

6521-0091 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Pool
Targets:
  • Others

References: we are preparing a list of scientific research reports with 6521-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6521-0091?
Check Price and Availability of 6521-0091, 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 6521-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6521-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6521-0091
  • 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 6521-0091 available by request