4458-0728 Screening compound: 4-methylphenyl 3-{[4-(acetamidosulfonyl)phenyl]carbamoyl}propanoate

4458-0728 Screening compound: 4-methylphenyl 3-{[4-(acetamidosulfonyl)phenyl]carbamoyl}propanoate
4458-0728 Screening compound: 4-methylphenyl 3-{[4-(acetamidosulfonyl)phenyl]carbamoyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4458-0728
4-methylphenyl 3-{[4-(acetamidosulfonyl)phenyl]carbamoyl}propanoate

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

4458-0728

Molecular Formula

C19H20N2O6S (C19 H20 N2 O6 S)

Compound Name

4-methylphenyl 3-{[4-(acetamidosulfonyl)phenyl]carbamoyl}propanoate

IUPAC name

4-methylphenyl 3-{[4-(acetamidosulfonyl)phenyl]carbamoyl}propanoate

SMILES

CC(NS(c(cc1)ccc1NC(CCC(Oc1ccc(C)cc1)=O)=O)(=O)=O)=O

InChI

InChI=1S/C19H20N2O6S/c1-13-3-7-16(8-4-13)27-19(24)12-11-18(23)20-15-5-9-17(10-6-15)28(25,26)21-14(2)22/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,22)

InChI Key

JHWDXXKDLRFZCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02813848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.535

Distribution Coefficient, logD

-0.744

Water Solubility, LogSw

-2.28

Polar Surface Area

98.170

Acid Dissociation Constant (pKa)

5.12

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

4458-0728 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4458-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4458-0728?
Check Price and Availability of 4458-0728, 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 4458-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4458-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4458-0728
  • 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 4458-0728 available by request