6031-1868F Screening compound: 4-{[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]amino}benzoic acid

6031-1868F Screening compound: 4-{[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]amino}benzoic acid
6031-1868F Screening compound: 4-{[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6031-1868F
4-{[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]amino}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

6031-1868F

Molecular Formula

C22H18ClNO3 (C22 H18 ClNO3)

Compound Name

4-{[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]amino}benzoic acid

IUPAC name

4-{[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]amino}benzoic acid

SMILES

OC(c(cc1)ccc1NC(CC(c(cc1)ccc1Cl)=O)c1ccccc1)=O

InChI

InChI=1S/C22H18ClNO3/c23-18-10-6-16(7-11-18)21(25)14-20(15-4-2-1-3-5-15)24-19-12-8-17(9-13-19)22(26)27/h1-13,20,24H,14H2,(H,26,27)/t20-/m0/s1

InChI Key

CBFFEZKPBYCWLT-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.445

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-5.95

Polar Surface Area

51.487

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.09

References: we are preparing a list of scientific research reports with 6031-1868F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6031-1868F?
Check Price and Availability of 6031-1868F, 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 6031-1868F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6031-1868F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6031-1868F
  • 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 6031-1868F available by request