G008-4913 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-ethyl-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzene-1-sulfonamide

G008-4913 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-ethyl-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzene-1-sulfonamide
G008-4913 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-ethyl-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-4913
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-ethyl-N-methyl-5-(3-methyl-1,2-oxazol-5-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

G008-4913

Molecular Formula

C22H24N2O5S (C22 H24 N2 O5 S)

Compound Name

N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-ethyl-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzene-1-sulfonamide

IUPAC name

N-[(23-dihydro-14-benzodioxin-2-yl)methyl]-2-ethyl-N-methyl-5-(3-methyl-12-oxazol-5-yl)benzene-1-sulfonamide

SMILES

CCc(ccc(-c1cc(C)no1)c1)c1S(N(C)CC1Oc(cccc2)c2OC1)(=O)=O

InChI

InChI=1S/C22H24N2O5S/c1-4-16-9-10-17(21-11-15(2)23-29-21)12-22(16)30(25,26)24(3)13-18-14-27-19-7-5-6-8-20(19)28-18/h5-12,18H,4,13-14H2,1-3H3/t18-/m0/s1

InChI Key

YBUJZJVSNDULGN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14976167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.168

Distribution Coefficient, logD

4.168

Water Solubility, LogSw

-4.17

Polar Surface Area

69.824

Acid Dissociation Constant (pKa)

24.76

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

G008-4913 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G008-4913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-4913?
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What is the minimum amount of G008-4913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-4913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-4913
  • 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 G008-4913 available by request