G008-3239 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

G008-3239 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
G008-3239 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-3239
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-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

G008-3239

Molecular Formula

C18H15F3N2O5S2 (C18 H15 F3 N2 O5 S2)

Compound Name

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

IUPAC name

N-[(23-dihydro-14-benzodioxin-2-yl)methyl]-N-methyl-5-[5-(trifluoromethyl)-12-oxazol-3-yl]thiophene-2-sulfonamide

SMILES

CN(CC1Oc(cccc2)c2OC1)S(c1ccc(-c2noc(C(F)(F)F)c2)s1)(=O)=O

InChI

InChI=1S/C18H15F3N2O5S2/c1-23(9-11-10-26-13-4-2-3-5-14(13)27-11)30(24,25)17-7-6-15(29-17)12-8-16(28-22-12)18(19,20)21/h2-8,11H,9-10H2,1H3/t11-/m0/s1

InChI Key

XZVXXSMDLZQGCY-NSHDSACASA-N

MDL Number (MFCD)

MFCD14975687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.45

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

4.194

Distribution Coefficient, logD

4.194

Water Solubility, LogSw

-4.35

Polar Surface Area

71.036

Acid Dissociation Constant (pKa)

28.04

Base Dissociation Constant (pKb)

-6.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

G008-3239 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G008-3239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-3239?
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What is the minimum amount of G008-3239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-3239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-3239
  • 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 G008-3239 available by request