0840-0001 Screening compound: (2E)-2-[(phenylformamido)imino]-2H-chromene-3-carboxamide

0840-0001 Screening compound: (2E)-2-[(phenylformamido)imino]-2H-chromene-3-carboxamide
0840-0001 Screening compound: (2E)-2-[(phenylformamido)imino]-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0840-0001
(2E)-2-[(phenylformamido)imino]-2H-chromene-3-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

0840-0001

Molecular Formula

C17H13N3O3 (C17 H13 N3 O3)

Compound Name

(2E)-2-[(phenylformamido)imino]-2H-chromene-3-carboxamide

IUPAC name

(2E)-2-[(phenylformamido)imino]-2H-chromene-3-carboxamide

SMILES

NC(C1=Cc(cccc2)c2O/C1=N/NC(c1ccccc1)=O)=O

InChI

InChI=1S/C17H13N3O3/c18-15(21)13-10-12-8-4-5-9-14(12)23-17(13)20-19-16(22)11-6-2-1-3-7-11/h1-10H,(H2,18,21)(H,19,22)

InChI Key

ZHGRZOWQGUSCBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00634763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.685

Distribution Coefficient, logD

1.541

Water Solubility, LogSw

-2.05

Polar Surface Area

77.151

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0840-0001 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0840-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0840-0001?
Check Price and Availability of 0840-0001, 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 0840-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0840-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0840-0001
  • 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 0840-0001 available by request