8015-8175 Screening compound: 4-(2-fluorophenyl)-7,7-dimethyl-1-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione

8015-8175 Screening compound: 4-(2-fluorophenyl)-7,7-dimethyl-1-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione
8015-8175 Screening compound: 4-(2-fluorophenyl)-7,7-dimethyl-1-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8175
4-(2-fluorophenyl)-7,7-dimethyl-1-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-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

8015-8175

Molecular Formula

C27H23F4N3O2S2 (C27 H23 F4 N3 O2 S2)

Compound Name

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

IUPAC name

4-(2-fluorophenyl)-77-dimethyl-1-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-134-thiadiazol-2-yl]-12345678-octahydroquinoline-25-dione

SMILES

CC(C)(C1)CC(N(c2nnc(SCc3cc(C(F)(F)F)ccc3)s2)C(CC2c(cccc3)c3F)=O)=C2C1=O

InChI

InChI=1S/C27H23F4N3O2S2/c1-26(2)12-20-23(21(35)13-26)18(17-8-3-4-9-19(17)28)11-22(36)34(20)24-32-33-25(38-24)37-14-15-6-5-7-16(10-15)27(29,30)31/h3-10,18H,11-14H2,1-2H3/t18-/m1/s1

InChI Key

SAYOWDNUXMUCJB-GOSISDBHSA-N

MDL Number (MFCD)

MFCD05258609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

561.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.865

Distribution Coefficient, logD

5.865

Water Solubility, LogSw

-5.67

Polar Surface Area

50.994

Acid Dissociation Constant (pKa)

18.16

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with 8015-8175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8175?
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What is the minimum amount of 8015-8175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8175
  • 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 8015-8175 available by request