C066-4122 Screening compound: 2-chloro-N-(8-methyl-6-{[3-(trifluoromethyl)phenyl]amino}naphthalen-2-yl)-4-nitrobenzamide

C066-4122 Screening compound: 2-chloro-N-(8-methyl-6-{[3-(trifluoromethyl)phenyl]amino}naphthalen-2-yl)-4-nitrobenzamide
C066-4122 Screening compound: 2-chloro-N-(8-methyl-6-{[3-(trifluoromethyl)phenyl]amino}naphthalen-2-yl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4122
2-chloro-N-(8-methyl-6-{[3-(trifluoromethyl)phenyl]amino}naphthalen-2-yl)-4-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

C066-4122

Molecular Formula

C25H17ClF3N3O3 (C25 H17 ClF3 N3 O3)

Compound Name

2-chloro-N-(8-methyl-6-{[3-(trifluoromethyl)phenyl]amino}naphthalen-2-yl)-4-nitrobenzamide

IUPAC name

2-chloro-N-(8-methyl-6-{[3-(trifluoromethyl)phenyl]amino}naphthalen-2-yl)-4-nitrobenzamide

SMILES

Cc1c(cc(cc2)NC(c(ccc([N+]([O-])=O)c3)c3Cl)=O)c2cc(Nc2cc(C(F)(F)F)ccc2)c1

InChI

InChI=1S/C25H17ClF3N3O3/c1-14-9-19(30-17-4-2-3-16(11-17)25(27,28)29)10-15-5-6-18(12-22(14)15)31-24(33)21-8-7-20(32(34)35)13-23(21)26/h2-13,30H,1H3,(H,31,33)

InChI Key

YFETWITVHUHCCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.680

Distribution Coefficient, logD

7.676

Water Solubility, LogSw

-6.66

Polar Surface Area

65.352

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

References: we are preparing a list of scientific research reports with C066-4122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4122?
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What is the minimum amount of C066-4122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4122
  • 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 C066-4122 available by request