8003-4731 Screening compound: 5-(4-chlorophenyl)-2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

8003-4731 Screening compound: 5-(4-chlorophenyl)-2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
8003-4731 Screening compound: 5-(4-chlorophenyl)-2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4731
5-(4-chlorophenyl)-2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

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

8003-4731

Molecular Formula

C19H15ClF3N3O2S (C19 H15 ClF3 N3 O2 S)

Compound Name

5-(4-chlorophenyl)-2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

IUPAC name

5-(4-chlorophenyl)-2-[(2E)-2-[(34-dimethoxyphenyl)methylidene]hydrazin-1-yl]-4-(trifluoromethyl)-13-thiazole

SMILES

COc(ccc(/C=N/Nc1nc(C(F)(F)F)c(-c(cc2)ccc2Cl)s1)c1)c1OC

InChI

InChI=1S/C19H15ClF3N3O2S/c1-27-14-8-3-11(9-15(14)28-2)10-24-26-18-25-17(19(21,22)23)16(29-18)12-4-6-13(20)7-5-12/h3-10H,1-2H3,(H,25,26)

InChI Key

RJJMZFOHEQRUCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00743987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.050

Distribution Coefficient, logD

6.050

Water Solubility, LogSw

-6.53

Polar Surface Area

47.182

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

8003-4731 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 8003-4731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4731?
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What is the minimum amount of 8003-4731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4731
  • 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 8003-4731 available by request