4333-4411 Screening compound: 2-amino-7,7-dimethyl-5-oxo-4-(2,4,6-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

4333-4411 Screening compound: 2-amino-7,7-dimethyl-5-oxo-4-(2,4,6-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
4333-4411 Screening compound: 2-amino-7,7-dimethyl-5-oxo-4-(2,4,6-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4333-4411
2-amino-7,7-dimethyl-5-oxo-4-(2,4,6-trimethoxyphenyl)-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

4333-4411

Molecular Formula

C21H24N2O5 (C21 H24 N2 O5)

Compound Name

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

IUPAC name

2-amino-77-dimethyl-5-oxo-4-(246-trimethoxyphenyl)-5678-tetrahydro-4H-chromene-3-carbonitrile

SMILES

CC(C)(C1)CC(OC(N)=C(C2c(c(OC)cc(OC)c3)c3OC)C#N)=C2C1=O

InChI

InChI=1S/C21H24N2O5/c1-21(2)8-13(24)18-16(9-21)28-20(23)12(10-22)17(18)19-14(26-4)6-11(25-3)7-15(19)27-5/h6-7,17H,8-9,23H2,1-5H3/t17-/m1/s1

InChI Key

QWCXUWSXCNFGAT-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD05026429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.459

Distribution Coefficient, logD

2.459

Water Solubility, LogSw

-2.44

Polar Surface Area

82.407

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

4333-4411 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4333-4411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-4411?
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What is the minimum amount of 4333-4411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-4411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-4411
  • 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 4333-4411 available by request