1391-0759 Screening compound: 3-imino-N-(2-methylphenyl)-3H-benzo[f]chromene-2-carboxamide

1391-0759 Screening compound: 3-imino-N-(2-methylphenyl)-3H-benzo[f]chromene-2-carboxamide
1391-0759 Screening compound: 3-imino-N-(2-methylphenyl)-3H-benzo[f]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1391-0759
3-imino-N-(2-methylphenyl)-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

1391-0759

Molecular Formula

C21H16N2O2 (C21 H16 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1NC(C1=Cc(c2ccccc2cc2)c2OC1=N)=O

InChI

InChI=1S/C21H16N2O2/c1-13-6-2-5-9-18(13)23-21(24)17-12-16-15-8-4-3-7-14(15)10-11-19(16)25-20(17)22/h2-12,22H,1H3,(H,23,24)

InChI Key

HKBPBEDHZNUEDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.867

Distribution Coefficient, logD

3.864

Water Solubility, LogSw

-4.29

Polar Surface Area

47.598

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

1391-0759 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 1391-0759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1391-0759?
Check Price and Availability of 1391-0759, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1391-0759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1391-0759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1391-0759
  • 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 1391-0759 available by request