8012-7005 Screening compound: N-{2-[(Z)-[(3-nitrophenyl)methylidene]amino]phenyl}-4-(trifluoromethyl)benzamide

8012-7005 Screening compound: N-{2-[(Z)-[(3-nitrophenyl)methylidene]amino]phenyl}-4-(trifluoromethyl)benzamide
8012-7005 Screening compound: N-{2-[(Z)-[(3-nitrophenyl)methylidene]amino]phenyl}-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7005
N-{2-[(Z)-[(3-nitrophenyl)methylidene]amino]phenyl}-4-(trifluoromethyl)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

8012-7005

Molecular Formula

C21H14F3N3O3 (C21 H14 F3 N3 O3)

Compound Name

N-{2-[(Z)-[(3-nitrophenyl)methylidene]amino]phenyl}-4-(trifluoromethyl)benzamide

IUPAC name

N-{2-[(Z)-[(3-nitrophenyl)methylidene]amino]phenyl}-4-(trifluoromethyl)benzamide

SMILES

[O-][N+](c1cccc(/C=N\c(cccc2)c2NC(c2ccc(C(F)(F)F)cc2)=O)c1)=O

InChI

InChI=1S/C21H14F3N3O3/c22-21(23,24)16-10-8-15(9-11-16)20(28)26-19-7-2-1-6-18(19)25-13-14-4-3-5-17(12-14)27(29)30/h1-13H,(H,26,28)

InChI Key

GCMDNTZPKZULMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.899

Distribution Coefficient, logD

4.899

Water Solubility, LogSw

-5.02

Polar Surface Area

63.443

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8012-7005 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8012-7005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7005?
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What is the minimum amount of 8012-7005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7005
  • 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 8012-7005 available by request