1391-0780 Screening compound: 3-imino-N-[3-(trifluoromethyl)phenyl]-3H-benzo[f]chromene-2-carboxamide

1391-0780 Screening compound: 3-imino-N-[3-(trifluoromethyl)phenyl]-3H-benzo[f]chromene-2-carboxamide
1391-0780 Screening compound: 3-imino-N-[3-(trifluoromethyl)phenyl]-3H-benzo[f]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1391-0780
3-imino-N-[3-(trifluoromethyl)phenyl]-3H-benzo[f]chromene-2-carboxamide

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

1391-0780

Molecular Formula

C21H13F3N2O2 (C21 H13 F3 N2 O2)

Compound Name

3-imino-N-[3-(trifluoromethyl)phenyl]-3H-benzo[f]chromene-2-carboxamide

IUPAC name

3-imino-N-[3-(trifluoromethyl)phenyl]-3H-benzo[f]chromene-2-carboxamide

SMILES

N=C(C(C(Nc1cccc(C(F)(F)F)c1)=O)=C1)Oc2c1c1ccccc1cc2

InChI

InChI=1S/C21H13F3N2O2/c22-21(23,24)13-5-3-6-14(10-13)26-20(27)17-11-16-15-7-2-1-4-12(15)8-9-18(16)28-19(17)25/h1-11,25H,(H,26,27)

InChI Key

HTGYDIKALWYGPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.917

Distribution Coefficient, logD

4.772

Water Solubility, LogSw

-5.99

Polar Surface Area

48.296

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

1391-0780 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1391-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1391-0780?
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What is the minimum amount of 1391-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1391-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1391-0780
  • 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 1391-0780 available by request