8005-3475 Screening compound: 3-amino-3-(4-chlorophenyl)propanoic acid

8005-3475 Screening compound: 3-amino-3-(4-chlorophenyl)propanoic acid
8005-3475 Screening compound: 3-amino-3-(4-chlorophenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-3475
3-amino-3-(4-chlorophenyl)propanoic 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

8005-3475

Molecular Formula

C9H10ClNO2 (C9 H10 ClNO2)

Compound Name

3-amino-3-(4-chlorophenyl)propanoic acid

IUPAC name

3-amino-3-(4-chlorophenyl)propanoic acid

SMILES

NC(CC(O)=O)c(cc1)ccc1Cl

InChI

InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1

InChI Key

BXGDBHAMTMMNTO-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD00126370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

199.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

-0.208

Distribution Coefficient, logD

-0.208

Water Solubility, LogSw

-1.82

Polar Surface Area

49.411

Acid Dissociation Constant (pKa)

3.83

Base Dissociation Constant (pKb)

8.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8005-3475 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8005-3475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-3475?
Check Price and Availability of 8005-3475, 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 8005-3475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-3475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-3475
  • 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 8005-3475 available by request