3558-0161 Screening compound: 4-[2,4-dichloro-5-(pyrrolidine-1-sulfonyl)benzamido]benzoic acid

3558-0161 Screening compound: 4-[2,4-dichloro-5-(pyrrolidine-1-sulfonyl)benzamido]benzoic acid
3558-0161 Screening compound: 4-[2,4-dichloro-5-(pyrrolidine-1-sulfonyl)benzamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3558-0161
4-[2,4-dichloro-5-(pyrrolidine-1-sulfonyl)benzamido]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

3558-0161

Molecular Formula

C18H16Cl2N2O5S (C18 H16 Cl2 N2 O5 S)

Compound Name

4-[2,4-dichloro-5-(pyrrolidine-1-sulfonyl)benzamido]benzoic acid

IUPAC name

4-[24-dichloro-5-(pyrrolidine-1-sulfonyl)benzamido]benzoic acid

SMILES

OC(c(cc1)ccc1NC(c(c(Cl)c1)cc(S(N2CCCC2)(=O)=O)c1Cl)=O)=O

InChI

InChI=1S/C18H16Cl2N2O5S/c19-14-10-15(20)16(28(26,27)22-7-1-2-8-22)9-13(14)17(23)21-12-5-3-11(4-6-12)18(24)25/h3-6,9-10H,1-2,7-8H2,(H,21,23)(H,24,25)

InChI Key

RQRMFZOCVUTUPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.31

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.798

Distribution Coefficient, logD

1.403

Water Solubility, LogSw

-4.34

Polar Surface Area

83.815

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

3558-0161 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3558-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3558-0161?
Check Price and Availability of 3558-0161, 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 3558-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3558-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3558-0161
  • 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 3558-0161 available by request