K781-7276 Screening compound: 3-nitro-4-[(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]benzamide

K781-7276 Screening compound: 3-nitro-4-[(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]benzamide
K781-7276 Screening compound: 3-nitro-4-[(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-7276
3-nitro-4-[(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]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

K781-7276

Molecular Formula

C22H18F3N3O3 (C22 H18 F3 N3 O3)

Compound Name

3-nitro-4-[(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]benzamide

IUPAC name

3-nitro-4-[(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]benzamide

SMILES

[O-][N+](c(cc(cc1)C(Nc2ccc(C(F)(F)F)cc2)=O)c1NCCc1ccccc1)=O

InChI

InChI=1S/C22H18F3N3O3/c23-22(24,25)17-7-9-18(10-8-17)27-21(29)16-6-11-19(20(14-16)28(30)31)26-13-12-15-4-2-1-3-5-15/h1-11,14,26H,12-13H2,(H,27,29)

InChI Key

XLVMUAYILYWNRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02937926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.308

Distribution Coefficient, logD

5.306

Water Solubility, LogSw

-5.71

Polar Surface Area

65.788

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

K781-7276 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 K781-7276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-7276?
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What is the minimum amount of K781-7276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-7276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-7276
  • 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 K781-7276 available by request