8017-9164 Screening compound: 2-amino-1-(3,4-dichlorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

8017-9164 Screening compound: 2-amino-1-(3,4-dichlorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
8017-9164 Screening compound: 2-amino-1-(3,4-dichlorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9164
2-amino-1-(3,4-dichlorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

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

8017-9164

Molecular Formula

C22H18Cl2N4O3S (C22 H18 Cl2 N4 O3 S)

Compound Name

2-amino-1-(3,4-dichlorophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

IUPAC name

2-amino-1-(34-dichlorophenyl)-77-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(C)(C1)CC(N(c(cc2)cc(Cl)c2Cl)C(N)=C(C2c3ccc([N+]([O-])=O)s3)C#N)=C2C1=O

InChI

InChI=1S/C22H18Cl2N4O3S/c1-22(2)8-15-20(16(29)9-22)19(17-5-6-18(32-17)28(30)31)12(10-25)21(26)27(15)11-3-4-13(23)14(24)7-11/h3-7,19H,8-9,26H2,1-2H3/t19-/m1/s1

InChI Key

HCFTWENDGCZSHH-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06619194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.011

Distribution Coefficient, logD

5.011

Water Solubility, LogSw

-5.18

Polar Surface Area

87.128

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

-5.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

References: we are preparing a list of scientific research reports with 8017-9164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9164?
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What is the minimum amount of 8017-9164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9164
  • 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 8017-9164 available by request