3132-0774 Screening compound: 2-amino-4-(4-butoxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

3132-0774 Screening compound: 2-amino-4-(4-butoxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
3132-0774 Screening compound: 2-amino-4-(4-butoxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3132-0774
2-amino-4-(4-butoxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-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

3132-0774

Molecular Formula

C23H28N2O4 (C23 H28 N2 O4)

Compound Name

2-amino-4-(4-butoxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

IUPAC name

2-amino-4-(4-butoxy-3-methoxyphenyl)-77-dimethyl-5-oxo-5678-tetrahydro-4H-chromene-3-carbonitrile

SMILES

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

InChI

InChI=1S/C23H28N2O4/c1-5-6-9-28-17-8-7-14(10-18(17)27-4)20-15(13-24)22(25)29-19-12-23(2,3)11-16(26)21(19)20/h7-8,10,20H,5-6,9,11-12,25H2,1-4H3/t20-/m1/s1

InChI Key

PVZAGLILOBOZQW-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD01551595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

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

3.511

Distribution Coefficient, logD

3.511

Water Solubility, LogSw

-3.79

Polar Surface Area

74.737

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

3132-0774 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 3132-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3132-0774?
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What is the minimum amount of 3132-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3132-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3132-0774
  • 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 3132-0774 available by request