8015-8178 Screening compound: 1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-7,7-dimethyl-4-phenyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione

8015-8178 Screening compound: 1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-7,7-dimethyl-4-phenyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione
8015-8178 Screening compound: 1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-7,7-dimethyl-4-phenyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8178
1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-7,7-dimethyl-4-phenyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione

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

8015-8178

Molecular Formula

C26H24ClN3O2S2 (C26 H24 ClN3 O2 S2)

Compound Name

1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-7,7-dimethyl-4-phenyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione

IUPAC name

1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)-77-dimethyl-4-phenyl-12345678-octahydroquinoline-25-dione

SMILES

CC(C)(C1)CC(N(c2nnc(SCc(cccc3)c3Cl)s2)C(CC2c3ccccc3)=O)=C2C1=O

InChI

InChI=1S/C26H24ClN3O2S2/c1-26(2)13-20-23(21(31)14-26)18(16-8-4-3-5-9-16)12-22(32)30(20)24-28-29-25(34-24)33-15-17-10-6-7-11-19(17)27/h3-11,18H,12-15H2,1-2H3/t18-/m1/s1

InChI Key

AHLXDZYIOGMAPN-GOSISDBHSA-N

MDL Number (MFCD)

MFCD05258612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.08

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.563

Distribution Coefficient, logD

5.563

Water Solubility, LogSw

-5.90

Polar Surface Area

50.994

Acid Dissociation Constant (pKa)

18.16

Base Dissociation Constant (pKb)

-4.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

References: we are preparing a list of scientific research reports with 8015-8178 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8178
ChemDiv sends parcels with Express services (UPS, WC).
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Delivery formats for 8015-8178
  • 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 8015-8178 available by request