G947-4005 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzene-1-sulfonamide

G947-4005 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzene-1-sulfonamide
G947-4005 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G947-4005
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzene-1-sulfonamide

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

G947-4005

Molecular Formula

C18H17N3O5S (C18 H17 N3 O5 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzene-1-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-methyl-5-(5-methyl-124-oxadiazol-3-yl)benzene-1-sulfonamide

SMILES

Cc1nc(-c2cc(S(NCc(cc3)cc4c3OCO4)(=O)=O)c(C)cc2)no1

InChI

InChI=1S/C18H17N3O5S/c1-11-3-5-14(18-20-12(2)26-21-18)8-17(11)27(22,23)19-9-13-4-6-15-16(7-13)25-10-24-15/h3-8,19H,9-10H2,1-2H3

InChI Key

RZQBFXXGDSSNSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.629

Distribution Coefficient, logD

3.628

Water Solubility, LogSw

-3.85

Polar Surface Area

90.017

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G947-4005 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G947-4005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G947-4005?
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What is the minimum amount of G947-4005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G947-4005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G947-4005
  • 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 G947-4005 available by request