1319-0161 Screening compound: 6-bromo-2-imino-N-(4-methylphenyl)-2H-chromene-3-carboxamide

1319-0161 Screening compound: 6-bromo-2-imino-N-(4-methylphenyl)-2H-chromene-3-carboxamide
1319-0161 Screening compound: 6-bromo-2-imino-N-(4-methylphenyl)-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1319-0161
6-bromo-2-imino-N-(4-methylphenyl)-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

1319-0161

Molecular Formula

C17H13BrN2O2 (C17 H13 BrN2 O2)

Compound Name

6-bromo-2-imino-N-(4-methylphenyl)-2H-chromene-3-carboxamide

IUPAC name

6-bromo-2-imino-N-(4-methylphenyl)-2H-chromene-3-carboxamide

SMILES

Cc(cc1)ccc1NC(C1=Cc(cc(cc2)Br)c2OC1=N)=O

InChI

InChI=1S/C17H13BrN2O2/c1-10-2-5-13(6-3-10)20-17(21)14-9-11-8-12(18)4-7-15(11)22-16(14)19/h2-9,19H,1H3,(H,20,21)

InChI Key

XRAPJAGVFIQACG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.21

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

3.901

Distribution Coefficient, logD

3.900

Water Solubility, LogSw

-4.07

Polar Surface Area

48.567

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1319-0161 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1319-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1319-0161?
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What is the minimum amount of 1319-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1319-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1319-0161
  • 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 1319-0161 available by request