G008-5100 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-yl)benzene-1-sulfonamide

G008-5100 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-yl)benzene-1-sulfonamide
G008-5100 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-5100
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-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

G008-5100

Molecular Formula

C21H22N2O5S (C21 H22 N2 O5 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-yl)benzene-1-sulfonamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-5-(3-methyl-12-oxazol-5-yl)-2-(propan-2-yl)benzene-1-sulfonamide

SMILES

CC(C)c(ccc(-c1cc(C)no1)c1)c1S(Nc(cc1)cc2c1OCCO2)(=O)=O

InChI

InChI=1S/C21H22N2O5S/c1-13(2)17-6-4-15(19-10-14(3)22-28-19)11-21(17)29(24,25)23-16-5-7-18-20(12-16)27-9-8-26-18/h4-7,10-13,23H,8-9H2,1-3H3

InChI Key

WPBVBKAZDHDGQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.547

Distribution Coefficient, logD

2.594

Water Solubility, LogSw

-3.70

Polar Surface Area

78.053

Acid Dissociation Constant (pKa)

6.50

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G008-5100 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G008-5100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-5100?
Check Price and Availability of G008-5100, 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 G008-5100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-5100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-5100
  • 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 G008-5100 available by request