8012-4634 Screening compound: 2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

8012-4634 Screening compound: 2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
8012-4634 Screening compound: 2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4634
2-amino-4-(3,4-dimethoxyphenyl)-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

8012-4634

Molecular Formula

C24H22N2O4 (C24 H22 N2 O4)

Compound Name

2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

IUPAC name

2-amino-4-(34-dimethoxyphenyl)-5-oxo-7-phenyl-5678-tetrahydro-4H-chromene-3-carbonitrile

SMILES

COc(ccc(C1C(C#N)=C(N)OC(CC(C2)c3ccccc3)=C1C2=O)c1)c1OC

InChI

InChI=1S/C24H22N2O4/c1-28-19-9-8-15(11-20(19)29-2)22-17(13-25)24(26)30-21-12-16(10-18(27)23(21)22)14-6-4-3-5-7-14/h3-9,11,16,22H,10,12,26H2,1-2H3

InChI Key

CUPPENCVKJJUIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02946940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.218

Distribution Coefficient, logD

3.218

Water Solubility, LogSw

-3.51

Polar Surface Area

74.591

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

8012-4634 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 8012-4634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4634?
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What is the minimum amount of 8012-4634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4634
  • 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 8012-4634 available by request