1209-0092 Screening compound: N-[3-(4-fluorobenzamido)phenyl]-4-methyl-3-nitrobenzamide

1209-0092 Screening compound: N-[3-(4-fluorobenzamido)phenyl]-4-methyl-3-nitrobenzamide
1209-0092 Screening compound: N-[3-(4-fluorobenzamido)phenyl]-4-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1209-0092
N-[3-(4-fluorobenzamido)phenyl]-4-methyl-3-nitrobenzamide

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

1209-0092

Molecular Formula

C21H16FN3O4 (C21 H16 FN3 O4)

Compound Name

N-[3-(4-fluorobenzamido)phenyl]-4-methyl-3-nitrobenzamide

IUPAC name

N-[3-(4-fluorobenzamido)phenyl]-4-methyl-3-nitrobenzamide

SMILES

Cc(ccc(C(Nc1cccc(NC(c(cc2)ccc2F)=O)c1)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C21H16FN3O4/c1-13-5-6-15(11-19(13)25(28)29)21(27)24-18-4-2-3-17(12-18)23-20(26)14-7-9-16(22)10-8-14/h2-12H,1H3,(H,23,26)(H,24,27)

InChI Key

AXVMPMWOELHTDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00996698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.233

Distribution Coefficient, logD

4.231

Water Solubility, LogSw

-4.45

Polar Surface Area

79.501

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

1209-0092 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1209-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1209-0092?
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What is the minimum amount of 1209-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1209-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1209-0092
  • 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 1209-0092 available by request