5983-1298 Screening compound: 2-amino-4-{4-[(4-chlorophenyl)methoxy]phenyl}-7-hydroxy-4H-chromene-3-carbonitrile

5983-1298 Screening compound: 2-amino-4-{4-[(4-chlorophenyl)methoxy]phenyl}-7-hydroxy-4H-chromene-3-carbonitrile
5983-1298 Screening compound: 2-amino-4-{4-[(4-chlorophenyl)methoxy]phenyl}-7-hydroxy-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5983-1298
2-amino-4-{4-[(4-chlorophenyl)methoxy]phenyl}-7-hydroxy-4H-chromene-3-carbonitrile

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

5983-1298

Molecular Formula

C23H17ClN2O3 (C23 H17 ClN2 O3)

Compound Name

2-amino-4-{4-[(4-chlorophenyl)methoxy]phenyl}-7-hydroxy-4H-chromene-3-carbonitrile

IUPAC name

2-amino-4-{4-[(4-chlorophenyl)methoxy]phenyl}-7-hydroxy-4H-chromene-3-carbonitrile

SMILES

NC(Oc1c(C2c(cc3)ccc3OCc(cc3)ccc3Cl)ccc(O)c1)=C2C#N

InChI

InChI=1S/C23H17ClN2O3/c24-16-5-1-14(2-6-16)13-28-18-8-3-15(4-9-18)22-19-10-7-17(27)11-21(19)29-23(26)20(22)12-25/h1-11,22,27H,13,26H2/t22-/m0/s1

InChI Key

KYLNGWXDLSXZBG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD04087001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.267

Distribution Coefficient, logD

4.266

Water Solubility, LogSw

-4.80

Polar Surface Area

71.138

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

5983-1298 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5983-1298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5983-1298?
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What is the minimum amount of 5983-1298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5983-1298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5983-1298
  • 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 5983-1298 available by request