8015-6710 Screening compound: 4-(4-chlorophenyl)-7,7-dimethyl-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

8015-6710 Screening compound: 4-(4-chlorophenyl)-7,7-dimethyl-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
8015-6710 Screening compound: 4-(4-chlorophenyl)-7,7-dimethyl-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6710
4-(4-chlorophenyl)-7,7-dimethyl-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

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

8015-6710

Molecular Formula

C22H24ClN3O2S2 (C22 H24 ClN3 O2 S2)

Compound Name

4-(4-chlorophenyl)-7,7-dimethyl-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

IUPAC name

4-(4-chlorophenyl)-77-dimethyl-1-[5-(propan-2-ylsulfanyl)-134-thiadiazol-2-yl]-12345678-octahydroquinoline-25-dione

SMILES

CC(C)Sc1nnc(N(C(CC(C)(C)C2)=C(C(C3)c(cc4)ccc4Cl)C2=O)C3=O)s1

InChI

InChI=1S/C22H24ClN3O2S2/c1-12(2)29-21-25-24-20(30-21)26-16-10-22(3,4)11-17(27)19(16)15(9-18(26)28)13-5-7-14(23)8-6-13/h5-8,12,15H,9-11H2,1-4H3/t15-/m0/s1

InChI Key

KRIYWZLXLGVCKL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05257545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.04

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.923

Distribution Coefficient, logD

4.923

Water Solubility, LogSw

-5.13

Polar Surface Area

51.266

Acid Dissociation Constant (pKa)

18.16

Base Dissociation Constant (pKb)

-4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

8015-6710 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-6710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6710?
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What is the minimum amount of 8015-6710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6710
  • 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 8015-6710 available by request