8018-0198 Screening compound: 2-amino-1-(2-chloro-4-nitrophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

8018-0198 Screening compound: 2-amino-1-(2-chloro-4-nitrophenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
8018-0198 Screening compound: 2-amino-1-(2-chloro-4-nitrophenyl)-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 8018-0198
2-amino-1-(2-chloro-4-nitrophenyl)-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

8018-0198

Molecular Formula

C22H18ClN5O5S (C22 H18 ClN5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(N(c(ccc([N+]([O-])=O)c2)c2Cl)C(N)=C(C2c3ccc([N+]([O-])=O)s3)C#N)=C2C1=O

InChI

InChI=1S/C22H18ClN5O5S/c1-22(2)8-15-20(16(29)9-22)19(17-5-6-18(34-17)28(32)33)12(10-24)21(25)26(15)14-4-3-11(27(30)31)7-13(14)23/h3-7,19H,8-9,25H2,1-2H3/t19-/m1/s1

InChI Key

VEVJBXZKCUJJHA-LJQANCHMSA-N

MDL Number (MFCD)

MFCD07021934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.93

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.204

Distribution Coefficient, logD

4.204

Water Solubility, LogSw

-4.56

Polar Surface Area

120.209

Acid Dissociation Constant (pKa)

14.89

Base Dissociation Constant (pKb)

-4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

References: we are preparing a list of scientific research reports with 8018-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0198?
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What is the minimum amount of 8018-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0198
  • 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 8018-0198 available by request