3718-0073 Screening compound: 2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

3718-0073 Screening compound: 2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
3718-0073 Screening compound: 2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3718-0073
2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-5-oxo-7-phenyl-5,6,7,8-tetrahydro-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

3718-0073

Molecular Formula

C30H26N2O4 (C30 H26 N2 O4)

Compound Name

2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

IUPAC name

2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-5-oxo-7-phenyl-5678-tetrahydro-4H-chromene-3-carbonitrile

SMILES

COc(cc(C1C(C#N)=C(N)OC(CC(C2)c3ccccc3)=C1C2=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C30H26N2O4/c1-34-26-15-21(12-13-25(26)35-18-19-8-4-2-5-9-19)28-23(17-31)30(32)36-27-16-22(14-24(33)29(27)28)20-10-6-3-7-11-20/h2-13,15,22,28H,14,16,18,32H2,1H3

InChI Key

QQNMHTHRXCYVLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02952984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.758

Distribution Coefficient, logD

4.758

Water Solubility, LogSw

-4.94

Polar Surface Area

74.275

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

3718-0073 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3718-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3718-0073?
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What is the minimum amount of 3718-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3718-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3718-0073
  • 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 3718-0073 available by request