3788-1015 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[N-(3-chloro-4-methylphenyl)4-methylbenzenesulfonamido]acetamide

3788-1015 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[N-(3-chloro-4-methylphenyl)4-methylbenzenesulfonamido]acetamide
3788-1015 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[N-(3-chloro-4-methylphenyl)4-methylbenzenesulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3788-1015
N-(2H-1,3-benzodioxol-5-yl)-2-[N-(3-chloro-4-methylphenyl)4-methylbenzenesulfonamido]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

3788-1015

Molecular Formula

C23H21ClN2O5S (C23 H21 ClN2 O5 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-[N-(3-chloro-4-methylphenyl)4-methylbenzenesulfonamido]acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[N-(3-chloro-4-methylphenyl)4-methylbenzenesulfonamido]acetamide

SMILES

Cc(cc1)ccc1S(N(CC(Nc(cc1)cc2c1OCO2)=O)c1cc(Cl)c(C)cc1)(=O)=O

InChI

InChI=1S/C23H21ClN2O5S/c1-15-3-8-19(9-4-15)32(28,29)26(18-7-5-16(2)20(24)12-18)13-23(27)25-17-6-10-21-22(11-17)31-14-30-21/h3-12H,13-14H2,1-2H3,(H,25,27)

InChI Key

UDIWFBLSKQCCBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02806977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.559

Distribution Coefficient, logD

5.559

Water Solubility, LogSw

-5.94

Polar Surface Area

72.057

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

3788-1015 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3788-1015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3788-1015?
Check Price and Availability of 3788-1015, 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 3788-1015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3788-1015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3788-1015
  • 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 3788-1015 available by request