3272-1190 Screening compound: N-(2H-1,3-BENZODIOXOL-5-YL)-2-[N-(4-ETHOXYPHENYL)4-(METHYLSULFANYL)BENZENESULFONAMIDO]ACETAMIDE

3272-1190 Screening compound: N-(2H-1,3-BENZODIOXOL-5-YL)-2-[N-(4-ETHOXYPHENYL)4-(METHYLSULFANYL)BENZENESULFONAMIDO]ACETAMIDE
3272-1190 Screening compound: N-(2H-1,3-BENZODIOXOL-5-YL)-2-[N-(4-ETHOXYPHENYL)4-(METHYLSULFANYL)BENZENESULFONAMIDO]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3272-1190
N-(2H-1,3-BENZODIOXOL-5-YL)-2-[N-(4-ETHOXYPHENYL)4-(METHYLSULFANYL)BENZENESULFONAMIDO]ACETAMIDE

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

3272-1190

Molecular Formula

C24H24N2O6S2 (C24 H24 N2 O6 S2)

Compound Name

N-(2H-1,3-BENZODIOXOL-5-YL)-2-[N-(4-ETHOXYPHENYL)4-(METHYLSULFANYL)BENZENESULFONAMIDO]ACETAMIDE

IUPAC name

n/a

SMILES

CCOc(cc1)ccc1N(CC(Nc(cc1)cc2c1OCO2)=O)S(c(cc1)ccc1SC)(=O)=O

InChI

InChI=1S/C24H24N2O6S2/c1-3-30-19-7-5-18(6-8-19)26(34(28,29)21-11-9-20(33-2)10-12-21)15-24(27)25-17-4-13-22-23(14-17)32-16-31-22/h4-14H,3,15-16H2,1-2H3,(H,25,27)

InChI Key

DLSVZJWUUFBGPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01187273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.000

Distribution Coefficient, logD

5.000

Water Solubility, LogSw

-4.56

Polar Surface Area

79.181

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

3272-1190 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3272-1190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3272-1190?
Check Price and Availability of 3272-1190, 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 3272-1190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3272-1190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3272-1190
  • 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 3272-1190 available by request