8004-3785 Screening compound: (5Z)-3-[({[1,1'-biphenyl]-4-yl}amino)methyl]-5-[(3-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

8004-3785 Screening compound: (5Z)-3-[({[1,1'-biphenyl]-4-yl}amino)methyl]-5-[(3-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
8004-3785 Screening compound: (5Z)-3-[({[1,1'-biphenyl]-4-yl}amino)methyl]-5-[(3-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-3785
(5Z)-3-[({[1,1'-biphenyl]-4-yl}amino)methyl]-5-[(3-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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

8004-3785

Molecular Formula

C23H17FN2OS2 (C23 H17 FN2 OS2)

Compound Name

(5Z)-3-[({[1,1'-biphenyl]-4-yl}amino)methyl]-5-[(3-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-3-[({[11'-biphenyl]-4-yl}amino)methyl]-5-[(3-fluorophenyl)methylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

O=C(/C(/S1)=C/c2cc(F)ccc2)N(CNc(cc2)ccc2-c2ccccc2)C1=S

InChI

InChI=1S/C23H17FN2OS2/c24-19-8-4-5-16(13-19)14-21-22(27)26(23(28)29-21)15-25-20-11-9-18(10-12-20)17-6-2-1-3-7-17/h1-14,25H,15H2

InChI Key

GYQBIZOMCSMNEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00340548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.010

Distribution Coefficient, logD

6.010

Water Solubility, LogSw

-6.20

Polar Surface Area

27.331

Acid Dissociation Constant (pKa)

19.98

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

8004-3785 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8004-3785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-3785?
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What is the minimum amount of 8004-3785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-3785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-3785
  • 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 8004-3785 available by request