5750-1223 Screening compound: 2-(4-bromophenyl)-5-(4-fluorobenzoyl)-8-methoxy-4,4-dimethyl-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinoline-1-thione

5750-1223 Screening compound: 2-(4-bromophenyl)-5-(4-fluorobenzoyl)-8-methoxy-4,4-dimethyl-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
5750-1223 Screening compound: 2-(4-bromophenyl)-5-(4-fluorobenzoyl)-8-methoxy-4,4-dimethyl-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinoline-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-1223
2-(4-bromophenyl)-5-(4-fluorobenzoyl)-8-methoxy-4,4-dimethyl-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

5750-1223

Molecular Formula

C26H20BrFN2O2S2 (C26 H20 BrFN2 O2 S2)

Compound Name

2-(4-bromophenyl)-5-(4-fluorobenzoyl)-8-methoxy-4,4-dimethyl-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinoline-1-thione

IUPAC name

2-(4-bromophenyl)-5-(4-fluorobenzoyl)-8-methoxy-44-dimethyl-1H2H4H5H-[12]thiazolo[54-c]quinoline-1-thione

SMILES

CC1(C)N(C(c(cc2)ccc2F)=O)c(ccc(OC)c2)c2C(C2=S)=C1SN2c(cc1)ccc1Br

InChI

InChI=1S/C26H20BrFN2O2S2/c1-26(2)23-22(25(33)30(34-23)18-10-6-16(27)7-11-18)20-14-19(32-3)12-13-21(20)29(26)24(31)15-4-8-17(28)9-5-15/h4-14H,1-3H3

InChI Key

PNNFJULZQMHXGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.840

Distribution Coefficient, logD

6.824

Water Solubility, LogSw

-5.74

Polar Surface Area

24.802

Acid Dissociation Constant (pKa)

29.90

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

5750-1223 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5750-1223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-1223?
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What is the minimum amount of 5750-1223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-1223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-1223
  • 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 5750-1223 available by request