3132-0990 Screening compound: 2-amino-4-{2-[(2-chlorophenyl)methoxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

3132-0990 Screening compound: 2-amino-4-{2-[(2-chlorophenyl)methoxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
3132-0990 Screening compound: 2-amino-4-{2-[(2-chlorophenyl)methoxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3132-0990
2-amino-4-{2-[(2-chlorophenyl)methoxy]phenyl}-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

3132-0990

Molecular Formula

C25H23ClN2O3 (C25 H23 ClN2 O3)

Compound Name

2-amino-4-{2-[(2-chlorophenyl)methoxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

IUPAC name

2-amino-4-{2-[(2-chlorophenyl)methoxy]phenyl}-77-dimethyl-5-oxo-5678-tetrahydro-4H-chromene-3-carbonitrile

SMILES

CC(C)(C1)CC(OC(N)=C(C2c(cccc3)c3OCc(cccc3)c3Cl)C#N)=C2C1=O

InChI

InChI=1S/C25H23ClN2O3/c1-25(2)11-19(29)23-21(12-25)31-24(28)17(13-27)22(23)16-8-4-6-10-20(16)30-14-15-7-3-5-9-18(15)26/h3-10,22H,11-12,14,28H2,1-2H3/t22-/m1/s1

InChI Key

QPWZFRHRFBMOTL-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD01562744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.650

Distribution Coefficient, logD

4.650

Water Solubility, LogSw

-4.76

Polar Surface Area

66.916

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with 3132-0990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3132-0990?
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What is the minimum amount of 3132-0990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3132-0990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3132-0990
  • 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 3132-0990 available by request