C301-9505 Screening compound: 4-bromo-N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]benzamide

C301-9505 Screening compound: 4-bromo-N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]benzamide
C301-9505 Screening compound: 4-bromo-N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9505
4-bromo-N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]benzamide

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

C301-9505

Molecular Formula

C22H21BrN2O3 (C22 H21 BrN2 O3)

Compound Name

4-bromo-N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]benzamide

IUPAC name

4-bromo-N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]benzamide

SMILES

O=C(c(cc1)ccc1Br)NC(C(Oc1c2cccc1)=O)=C2NC1CCCCC1

InChI

InChI=1S/C22H21BrN2O3/c23-15-12-10-14(11-13-15)21(26)25-20-19(24-16-6-2-1-3-7-16)17-8-4-5-9-18(17)28-22(20)27/h4-5,8-13,16,24H,1-3,6-7H2,(H,25,26)

InChI Key

ZXHMKAYAXCWPRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.794

Distribution Coefficient, logD

3.509

Water Solubility, LogSw

-4.86

Polar Surface Area

54.609

Acid Dissociation Constant (pKa)

6.14

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C301-9505 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-9505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9505?
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What is the minimum amount of C301-9505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9505
  • 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 C301-9505 available by request