8008-6827 Screening compound: (2Z,5E)-3-(dimethylamino)-5-({4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-2-(phenylimino)-1,3-thiazolidin-4-one

8008-6827 Screening compound: (2Z,5E)-3-(dimethylamino)-5-({4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-2-(phenylimino)-1,3-thiazolidin-4-one
8008-6827 Screening compound: (2Z,5E)-3-(dimethylamino)-5-({4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-2-(phenylimino)-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6827
(2Z,5E)-3-(dimethylamino)-5-({4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-2-(phenylimino)-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

8008-6827

Molecular Formula

C29H25N3O2S (C29 H25 N3 O2 S)

Compound Name

(2Z,5E)-3-(dimethylamino)-5-({4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-2-(phenylimino)-1,3-thiazolidin-4-one

IUPAC name

(2Z5E)-3-(dimethylamino)-5-({4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-2-(phenylimino)-13-thiazolidin-4-one

SMILES

CN(C)N(C(/C(/S1)=C\c(cc2)ccc2OCc2cccc3ccccc23)=O)/C1=N/c1ccccc1

InChI

InChI=1S/C29H25N3O2S/c1-31(2)32-28(33)27(35-29(32)30-24-12-4-3-5-13-24)19-21-15-17-25(18-16-21)34-20-23-11-8-10-22-9-6-7-14-26(22)23/h3-19H,20H2,1-2H3

InChI Key

AFOMEORYSANRDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01414547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.790

Distribution Coefficient, logD

5.790

Water Solubility, LogSw

-6.64

Polar Surface Area

40.743

Acid Dissociation Constant (pKa)

28.22

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

8008-6827 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8008-6827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6827?
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What is the minimum amount of 8008-6827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6827
  • 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 8008-6827 available by request