8008-8079 Screening compound: (2Z)-4-(4-bromophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)-2,3-dihydro-1,3-thiazol-2-imine

8008-8079 Screening compound: (2Z)-4-(4-bromophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)-2,3-dihydro-1,3-thiazol-2-imine
8008-8079 Screening compound: (2Z)-4-(4-bromophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)-2,3-dihydro-1,3-thiazol-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8079
(2Z)-4-(4-bromophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)-2,3-dihydro-1,3-thiazol-2-imine

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

8008-8079

Molecular Formula

C25H22BrFN2O2S (C25 H22 BrFN2 O2 S)

Compound Name

(2Z)-4-(4-bromophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)-2,3-dihydro-1,3-thiazol-2-imine

IUPAC name

(2Z)-4-(4-bromophenyl)-3-[2-(34-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)-23-dihydro-13-thiazol-2-imine

SMILES

COc(ccc(CCN(C(c(cc1)ccc1Br)=CS1)/C1=N/c(cc1)ccc1F)c1)c1OC

InChI

InChI=1S/C25H22BrFN2O2S/c1-30-23-12-3-17(15-24(23)31-2)13-14-29-22(18-4-6-19(26)7-5-18)16-32-25(29)28-21-10-8-20(27)9-11-21/h3-12,15-16H,13-14H2,1-2H3

InChI Key

QLYHKSZZOGANFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460044

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

513.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.571

Distribution Coefficient, logD

6.571

Water Solubility, LogSw

-5.87

Polar Surface Area

26.542

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 8008-8079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8079?
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What is the minimum amount of 8008-8079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8079
  • 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 8008-8079 available by request