8016-8233 Screening compound: 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-[4-(morpholinomethyl)-2-thienyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

8016-8233 Screening compound: 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-[4-(morpholinomethyl)-2-thienyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
8016-8233 Screening compound: 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-[4-(morpholinomethyl)-2-thienyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8233
2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-[4-(morpholinomethyl)-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

8016-8233

Molecular Formula

C27H29ClN4O2S (C27 H29 ClN4 O2 S)

Compound Name

2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-[4-(morpholinomethyl)-2-thienyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

IUPAC name

2-amino-1-(4-chlorophenyl)-77-dimethyl-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(C)(C1)CC(N(c(cc2)ccc2Cl)C(N)=C(C2c3cc(CN4CCOCC4)cs3)C#N)=C2C1=O

InChI

InChI=1S/C27H29ClN4O2S/c1-27(2)12-21-25(22(33)13-27)24(23-11-17(16-35-23)15-31-7-9-34-10-8-31)20(14-29)26(30)32(21)19-5-3-18(28)4-6-19/h3-6,11,16,24H,7-10,12-13,15,30H2,1-2H3/t24-/m1/s1

InChI Key

TUHPXFPOAAELQW-XMMPIXPASA-N

MDL Number (MFCD)

MFCD05859490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.07

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.585

Distribution Coefficient, logD

2.691

Water Solubility, LogSw

-4.03

Polar Surface Area

65.036

Acid Dissociation Constant (pKa)

15.78

Base Dissociation Constant (pKb)

8.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.74

References: we are preparing a list of scientific research reports with 8016-8233 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8016-8233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8233
  • 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 8016-8233 available by request