8015-8095 Screening compound: 2-amino-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

8015-8095 Screening compound: 2-amino-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
8015-8095 Screening compound: 2-amino-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8095
2-amino-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2-chlorophenyl)-7,7-dimethyl-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

8015-8095

Molecular Formula

C27H23Cl2N5OS2 (C27 H23 Cl2 N5 OS2)

Compound Name

2-amino-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

IUPAC name

2-amino-4-(2-chlorophenyl)-1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)-77-dimethyl-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(C)(C1)CC(N(c2nnc(SCc(cccc3)c3Cl)s2)C(N)=C(C2c(cccc3)c3Cl)C#N)=C2C1=O

InChI

InChI=1S/C27H23Cl2N5OS2/c1-27(2)11-20-23(21(35)12-27)22(16-8-4-6-10-19(16)29)17(13-30)24(31)34(20)25-32-33-26(37-25)36-14-15-7-3-5-9-18(15)28/h3-10,22H,11-12,14,31H2,1-2H3/t22-/m1/s1

InChI Key

HWOMAGDJWBHPAL-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD05258538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.335

Distribution Coefficient, logD

6.335

Water Solubility, LogSw

-5.97

Polar Surface Area

74.785

Acid Dissociation Constant (pKa)

16.55

Base Dissociation Constant (pKb)

-5.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.93

References: we are preparing a list of scientific research reports with 8015-8095 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8015-8095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8095
  • 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 8015-8095 available by request