1852-0415 Screening compound: 2-amino-4-(2,6-dichlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

1852-0415 Screening compound: 2-amino-4-(2,6-dichlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
1852-0415 Screening compound: 2-amino-4-(2,6-dichlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1852-0415
2-amino-4-(2,6-dichlorophenyl)-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

1852-0415

Molecular Formula

C18H16Cl2N2O2 (C18 H16 Cl2 N2 O2)

Compound Name

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

IUPAC name

2-amino-4-(26-dichlorophenyl)-77-dimethyl-5-oxo-5678-tetrahydro-4H-chromene-3-carbonitrile

SMILES

CC(C)(C1)CC(OC(N)=C(C2c(c(Cl)ccc3)c3Cl)C#N)=C2C1=O

InChI

InChI=1S/C18H16Cl2N2O2/c1-18(2)6-12(23)16-13(7-18)24-17(22)9(8-21)14(16)15-10(19)4-3-5-11(15)20/h3-5,14H,6-7,22H2,1-2H3/t14-/m0/s1

InChI Key

KXZWDOIFBYOODQ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00486626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.951

Distribution Coefficient, logD

2.951

Water Solubility, LogSw

-3.57

Polar Surface Area

59.602

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 1852-0415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1852-0415?
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What is the minimum amount of 1852-0415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1852-0415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1852-0415
  • 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 1852-0415 available by request