3132-1150 Screening compound: 2-amino-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

3132-1150 Screening compound: 2-amino-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
3132-1150 Screening compound: 2-amino-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3132-1150
2-amino-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]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

3132-1150

Molecular Formula

C26H25N3O6 (C26 H25 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(OC(N)=C(C2c(cc3)cc(COc(cccc4)c4[N+]([O-])=O)c3OC)C#N)=C2C1=O

InChI

InChI=1S/C26H25N3O6/c1-26(2)11-19(30)24-22(12-26)35-25(28)17(13-27)23(24)15-8-9-20(33-3)16(10-15)14-34-21-7-5-4-6-18(21)29(31)32/h4-10,23H,11-12,14,28H2,1-3H3/t23-/m1/s1

InChI Key

DHRFZVUHKHVDKL-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD01466469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.444

Distribution Coefficient, logD

3.444

Water Solubility, LogSw

-4.08

Polar Surface Area

107.627

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 3132-1150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3132-1150?
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What is the minimum amount of 3132-1150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3132-1150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3132-1150
  • 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 3132-1150 available by request