G851-0098 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-methyl-5-[(1E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonamide

G851-0098 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-methyl-5-[(1E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonamide
G851-0098 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-methyl-5-[(1E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G851-0098
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-[(1E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]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

G851-0098

Molecular Formula

C20H18ClN3O6S (C20 H18 ClN3 O6 S)

Compound Name

N-(3-chloro-4-methoxyphenyl)-2-methyl-5-[(1E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-2-methyl-5-[(1E)-2-(3-methyl-4-nitro-12-oxazol-5-yl)ethenyl]benzene-1-sulfonamide

SMILES

Cc1noc(/C=C/c2cc(S(Nc(cc3)cc(Cl)c3OC)(=O)=O)c(C)cc2)c1[N+]([O-])=O

InChI

InChI=1S/C20H18ClN3O6S/c1-12-4-5-14(6-8-18-20(24(25)26)13(2)22-30-18)10-19(12)31(27,28)23-15-7-9-17(29-3)16(21)11-15/h4-11,23H,1-3H3

InChI Key

KLYQDNKIXPKLAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15040238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.9

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.915

Distribution Coefficient, logD

3.405

Water Solubility, LogSw

-5.24

Polar Surface Area

102.814

Acid Dissociation Constant (pKa)

5.90

Base Dissociation Constant (pKb)

-10.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G851-0098 in Drug Discovery

Included in Screening Libraries

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 G851-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G851-0098?
Check Price and Availability of G851-0098, 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 G851-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G851-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G851-0098
  • 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 G851-0098 available by request