Y070-1318 Screening compound: N-(4-methoxyphenyl)-2-nitro-N-[3-(trifluoromethyl)benzenesulfonyl]benzamide

Y070-1318 Screening compound: N-(4-methoxyphenyl)-2-nitro-N-[3-(trifluoromethyl)benzenesulfonyl]benzamide
Y070-1318 Screening compound: N-(4-methoxyphenyl)-2-nitro-N-[3-(trifluoromethyl)benzenesulfonyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-1318
N-(4-methoxyphenyl)-2-nitro-N-[3-(trifluoromethyl)benzenesulfonyl]benzamide

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

Y070-1318

Molecular Formula

C21H15F3N2O6S (C21 H15 F3 N2 O6 S)

Compound Name

N-(4-methoxyphenyl)-2-nitro-N-[3-(trifluoromethyl)benzenesulfonyl]benzamide

IUPAC name

N-(4-methoxyphenyl)-2-nitro-N-[3-(trifluoromethyl)benzenesulfonyl]benzamide

SMILES

COc(cc1)ccc1N(C(c(cccc1)c1[N+]([O-])=O)=O)S(c1cc(C(F)(F)F)ccc1)(=O)=O

InChI

InChI=1S/C21H15F3N2O6S/c1-32-16-11-9-15(10-12-16)25(20(27)18-7-2-3-8-19(18)26(28)29)33(30,31)17-6-4-5-14(13-17)21(22,23)24/h2-13H,1H3

InChI Key

KLXIRKBCLOAHQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03463962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.257

Distribution Coefficient, logD

4.257

Water Solubility, LogSw

-4.63

Polar Surface Area

86.171

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-17.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

Y070-1318 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-1318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-1318?
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What is the minimum amount of Y070-1318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-1318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-1318
  • 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 Y070-1318 available by request