3807-4494 Screening compound: 4,4,7,8-tetramethyl-2-[3-(trifluoromethyl)phenyl]-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinoline-1-thione

3807-4494 Screening compound: 4,4,7,8-tetramethyl-2-[3-(trifluoromethyl)phenyl]-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
3807-4494 Screening compound: 4,4,7,8-tetramethyl-2-[3-(trifluoromethyl)phenyl]-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinoline-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-4494
4,4,7,8-tetramethyl-2-[3-(trifluoromethyl)phenyl]-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinoline-1-thione

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

3807-4494

Molecular Formula

C21H19F3N2S2 (C21 H19 F3 N2 S2)

Compound Name

4,4,7,8-tetramethyl-2-[3-(trifluoromethyl)phenyl]-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinoline-1-thione

IUPAC name

4478-tetramethyl-2-[3-(trifluoromethyl)phenyl]-1H2H4H5H-[12]thiazolo[54-c]quinoline-1-thione

SMILES

CC1(C)Nc(cc(C)c(C)c2)c2C(C2=S)=C1SN2c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C21H19F3N2S2/c1-11-8-15-16(9-12(11)2)25-20(3,4)18-17(15)19(27)26(28-18)14-7-5-6-13(10-14)21(22,23)24/h5-10,25H,1-4H3

InChI Key

GKQKDNZXMWDDAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01326010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.513

Distribution Coefficient, logD

6.401

Water Solubility, LogSw

-6.24

Polar Surface Area

14.706

Acid Dissociation Constant (pKa)

18.10

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3807-4494 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 3807-4494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-4494?
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What is the minimum amount of 3807-4494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-4494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-4494
  • 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 3807-4494 available by request