3669-2207 Screening compound: (5E)-5-({3-bromo-4-[(naphthalen-2-yl)methoxy]phenyl}methylidene)-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

3669-2207 Screening compound: (5E)-5-({3-bromo-4-[(naphthalen-2-yl)methoxy]phenyl}methylidene)-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
3669-2207 Screening compound: (5E)-5-({3-bromo-4-[(naphthalen-2-yl)methoxy]phenyl}methylidene)-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3669-2207
(5E)-5-({3-bromo-4-[(naphthalen-2-yl)methoxy]phenyl}methylidene)-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

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

3669-2207

Molecular Formula

C28H18BrFN2O3S (C28 H18 BrFN2 O3 S)

Compound Name

(5E)-5-({3-bromo-4-[(naphthalen-2-yl)methoxy]phenyl}methylidene)-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5E)-5-({3-bromo-4-[(naphthalen-2-yl)methoxy]phenyl}methylidene)-1-(2-fluorophenyl)-2-sulfanylidene-13-diazinane-46-dione

SMILES

O=C(/C(/C(N1c(cccc2)c2F)=O)=C\c(cc2)cc(Br)c2OCc2cc3ccccc3cc2)NC1=S

InChI

InChI=1S/C28H18BrFN2O3S/c29-22-15-17(10-12-25(22)35-16-18-9-11-19-5-1-2-6-20(19)13-18)14-21-26(33)31-28(36)32(27(21)34)24-8-4-3-7-23(24)30/h1-15H,16H2,(H,31,33,36)

InChI Key

XWTCDGOJKKLJJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02314325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

561.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.146

Distribution Coefficient, logD

5.072

Water Solubility, LogSw

-6.84

Polar Surface Area

46.970

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

-10.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

3669-2207 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3669-2207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3669-2207?
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What is the minimum amount of 3669-2207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3669-2207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3669-2207
  • 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 3669-2207 available by request