8006-4463 Screening compound: 2-amino-4-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

8006-4463 Screening compound: 2-amino-4-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
8006-4463 Screening compound: 2-amino-4-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4463
2-amino-4-(2-chloro-5-nitrophenyl)-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

8006-4463

Molecular Formula

C18H16ClN3O4 (C18 H16 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(OC(N)=C(C2c(cc(cc3)[N+]([O-])=O)c3Cl)C#N)=C2C1=O

InChI

InChI=1S/C18H16ClN3O4/c1-18(2)6-13(23)16-14(7-18)26-17(21)11(8-20)15(16)10-5-9(22(24)25)3-4-12(10)19/h3-5,15H,6-7,21H2,1-2H3/t15-/m1/s1

InChI Key

TZLPCXJHSZSNTD-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.8

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.167

Distribution Coefficient, logD

3.167

Water Solubility, LogSw

-3.72

Polar Surface Area

92.984

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8006-4463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4463?
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What is the minimum amount of 8006-4463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4463
  • 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 8006-4463 available by request