3684-0513 Screening compound: 5-({2-[(2-fluorophenyl)methoxy]phenyl}methylidene)-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

3684-0513 Screening compound: 5-({2-[(2-fluorophenyl)methoxy]phenyl}methylidene)-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
3684-0513 Screening compound: 5-({2-[(2-fluorophenyl)methoxy]phenyl}methylidene)-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3684-0513
5-({2-[(2-fluorophenyl)methoxy]phenyl}methylidene)-1,3-dimethyl-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

3684-0513

Molecular Formula

C20H17FN2O3S (C20 H17 FN2 O3 S)

Compound Name

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

IUPAC name

5-({2-[(2-fluorophenyl)methoxy]phenyl}methylidene)-13-dimethyl-2-sulfanylidene-13-diazinane-46-dione

SMILES

CN(C(C(C(N1C)=O)=Cc(cccc2)c2OCc(cccc2)c2F)=O)C1=S

InChI

InChI=1S/C20H17FN2O3S/c1-22-18(24)15(19(25)23(2)20(22)27)11-13-7-4-6-10-17(13)26-12-14-8-3-5-9-16(14)21/h3-11H,12H2,1-2H3

InChI Key

JVNKFMGLPLFBQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02608741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.899

Distribution Coefficient, logD

2.899

Water Solubility, LogSw

-3.28

Polar Surface Area

39.132

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

-10.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3684-0513 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3684-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3684-0513?
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What is the minimum amount of 3684-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3684-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3684-0513
  • 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 3684-0513 available by request