8020-2832 Screening compound: 2-[N-(2H-1,3-benzodioxol-5-yl)methanesulfonamido]-N-[3-(morpholine-4-sulfonyl)phenyl]acetamide

8020-2832 Screening compound: 2-[N-(2H-1,3-benzodioxol-5-yl)methanesulfonamido]-N-[3-(morpholine-4-sulfonyl)phenyl]acetamide
8020-2832 Screening compound: 2-[N-(2H-1,3-benzodioxol-5-yl)methanesulfonamido]-N-[3-(morpholine-4-sulfonyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2832
2-[N-(2H-1,3-benzodioxol-5-yl)methanesulfonamido]-N-[3-(morpholine-4-sulfonyl)phenyl]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

8020-2832

Molecular Formula

C20H23N3O8S2 (C20 H23 N3 O8 S2)

Compound Name

2-[N-(2H-1,3-benzodioxol-5-yl)methanesulfonamido]-N-[3-(morpholine-4-sulfonyl)phenyl]acetamide

IUPAC name

2-[N-(2H-13-benzodioxol-5-yl)methanesulfonamido]-N-[3-(morpholine-4-sulfonyl)phenyl]acetamide

SMILES

CS(N(CC(Nc1cccc(S(N2CCOCC2)(=O)=O)c1)=O)c(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C20H23N3O8S2/c1-32(25,26)23(16-5-6-18-19(12-16)31-14-30-18)13-20(24)21-15-3-2-4-17(11-15)33(27,28)22-7-9-29-10-8-22/h2-6,11-12H,7-10,13-14H2,1H3,(H,21,24)

InChI Key

JEORCMJKLZEDFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12972464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.55

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.536

Distribution Coefficient, logD

1.536

Water Solubility, LogSw

-2.66

Polar Surface Area

111.441

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

8020-2832 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-2832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2832?
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What is the minimum amount of 8020-2832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2832
  • 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 8020-2832 available by request