3506-0128 Screening compound: 3-(2-chlorobenzamido)phenyl 3-(diethylsulfamoyl)-4-methylbenzoate

3506-0128 Screening compound: 3-(2-chlorobenzamido)phenyl 3-(diethylsulfamoyl)-4-methylbenzoate
3506-0128 Screening compound: 3-(2-chlorobenzamido)phenyl 3-(diethylsulfamoyl)-4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3506-0128
3-(2-chlorobenzamido)phenyl 3-(diethylsulfamoyl)-4-methylbenzoate

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

3506-0128

Molecular Formula

C25H25ClN2O5S (C25 H25 ClN2 O5 S)

Compound Name

3-(2-chlorobenzamido)phenyl 3-(diethylsulfamoyl)-4-methylbenzoate

IUPAC name

3-(2-chlorobenzamido)phenyl 3-(diethylsulfamoyl)-4-methylbenzoate

SMILES

CCN(CC)S(c1c(C)ccc(C(Oc2cccc(NC(c(cccc3)c3Cl)=O)c2)=O)c1)(=O)=O

InChI

InChI=1S/C25H25ClN2O5S/c1-4-28(5-2)34(31,32)23-15-18(14-13-17(23)3)25(30)33-20-10-8-9-19(16-20)27-24(29)21-11-6-7-12-22(21)26/h6-16H,4-5H2,1-3H3,(H,27,29)

InChI Key

VUABIUQWKWSNMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01203111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.900

Distribution Coefficient, logD

4.893

Water Solubility, LogSw

-4.90

Polar Surface Area

74.804

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3506-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3506-0128?
Check Price and Availability of 3506-0128, 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 3506-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3506-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3506-0128
  • 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 3506-0128 available by request