5983-1395 Screening compound: 2-amino-7-hydroxy-4-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-4H-chromene-3-carbonitrile

5983-1395 Screening compound: 2-amino-7-hydroxy-4-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-4H-chromene-3-carbonitrile
5983-1395 Screening compound: 2-amino-7-hydroxy-4-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5983-1395
2-amino-7-hydroxy-4-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-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

5983-1395

Molecular Formula

C20H16N2O4 (C20 H16 N2 O4)

Compound Name

2-amino-7-hydroxy-4-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-4H-chromene-3-carbonitrile

IUPAC name

2-amino-7-hydroxy-4-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-4H-chromene-3-carbonitrile

SMILES

COc(cc(C1C(C#N)=C(N)Oc2c1ccc(O)c2)cc1)c1OCC#C

InChI

InChI=1S/C20H16N2O4/c1-3-8-25-16-7-4-12(9-18(16)24-2)19-14-6-5-13(23)10-17(14)26-20(22)15(19)11-21/h1,4-7,9-10,19,23H,8,22H2,2H3/t19-/m1/s1

InChI Key

SRGZIHZIICYNKD-LJQANCHMSA-N

MDL Number (MFCD)

MFCD05150129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.118

Distribution Coefficient, logD

2.118

Water Solubility, LogSw

-2.51

Polar Surface Area

79.046

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

5983-1395 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Antibacterial Compounds Library (13827 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 5983-1395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5983-1395?
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What is the minimum amount of 5983-1395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5983-1395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5983-1395
  • 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 5983-1395 available by request