1612-0949 Screening compound: (2E)-2-{[(4-bromophenyl)formamido]imino}-2H-chromene-3-carboxamide

1612-0949 Screening compound: (2E)-2-{[(4-bromophenyl)formamido]imino}-2H-chromene-3-carboxamide
1612-0949 Screening compound: (2E)-2-{[(4-bromophenyl)formamido]imino}-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1612-0949
(2E)-2-{[(4-bromophenyl)formamido]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

1612-0949

Molecular Formula

C17H12BrN3O3 (C17 H12 BrN3 O3)

Compound Name

(2E)-2-{[(4-bromophenyl)formamido]imino}-2H-chromene-3-carboxamide

IUPAC name

(2E)-2-{[(4-bromophenyl)formamido]imino}-2H-chromene-3-carboxamide

SMILES

NC(C1=Cc(cccc2)c2O/C1=N/NC(c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C17H12BrN3O3/c18-12-7-5-10(6-8-12)16(23)20-21-17-13(15(19)22)9-11-3-1-2-4-14(11)24-17/h1-9H,(H2,19,22)(H,20,23)

InChI Key

ONVFRWAQJGIMQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.2

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

2.624

Distribution Coefficient, logD

1.978

Water Solubility, LogSw

-3.21

Polar Surface Area

77.151

Acid Dissociation Constant (pKa)

6.86

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1612-0949 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1612-0949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1612-0949?
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What is the minimum amount of 1612-0949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1612-0949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1612-0949
  • 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 1612-0949 available by request