3594-0466 Screening compound: 3-(4-chloro-3-nitrobenzenesulfonamido)-3-phenylpropanoic acid

3594-0466 Screening compound: 3-(4-chloro-3-nitrobenzenesulfonamido)-3-phenylpropanoic acid
3594-0466 Screening compound: 3-(4-chloro-3-nitrobenzenesulfonamido)-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3594-0466
3-(4-chloro-3-nitrobenzenesulfonamido)-3-phenylpropanoic 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

3594-0466

Molecular Formula

C15H13ClN2O6S (C15 H13 ClN2 O6 S)

Compound Name

3-(4-chloro-3-nitrobenzenesulfonamido)-3-phenylpropanoic acid

IUPAC name

3-(4-chloro-3-nitrobenzenesulfonamido)-3-phenylpropanoic acid

SMILES

[O-][N+](c(cc(cc1)S(NC(CC(O)=O)c2ccccc2)(=O)=O)c1Cl)=O

InChI

InChI=1S/C15H13ClN2O6S/c16-12-7-6-11(8-14(12)18(21)22)25(23,24)17-13(9-15(19)20)10-4-2-1-3-5-10/h1-8,13,17H,9H2,(H,19,20)/t13-/m0/s1

InChI Key

RRKJMUPYYYTTHR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01165008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.8

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.949

Distribution Coefficient, logD

0.148

Water Solubility, LogSw

-3.49

Polar Surface Area

103.305

Acid Dissociation Constant (pKa)

4.60

Base Dissociation Constant (pKb)

-8.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 3594-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3594-0466?
Check Price and Availability of 3594-0466, 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 3594-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3594-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3594-0466
  • 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 3594-0466 available by request