3669-2137 Screening compound: (5E)-5-[(4-ethoxynaphthalen-1-yl)methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

3669-2137 Screening compound: (5E)-5-[(4-ethoxynaphthalen-1-yl)methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
3669-2137 Screening compound: (5E)-5-[(4-ethoxynaphthalen-1-yl)methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3669-2137
(5E)-5-[(4-ethoxynaphthalen-1-yl)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

3669-2137

Molecular Formula

C23H17FN2O3S (C23 H17 FN2 O3 S)

Compound Name

(5E)-5-[(4-ethoxynaphthalen-1-yl)methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5E)-5-[(4-ethoxynaphthalen-1-yl)methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-13-diazinane-46-dione

SMILES

CCOc1ccc(/C=C(\C(NC(N2c(cccc3)c3F)=S)=O)/C2=O)c2ccccc12

InChI

InChI=1S/C23H17FN2O3S/c1-2-29-20-12-11-14(15-7-3-4-8-16(15)20)13-17-21(27)25-23(30)26(22(17)28)19-10-6-5-9-18(19)24/h3-13H,2H2,1H3,(H,25,27,30)

InChI Key

NOBALLHARBCBCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.494

Distribution Coefficient, logD

3.035

Water Solubility, LogSw

-4.24

Polar Surface Area

46.866

Acid Dissociation Constant (pKa)

5.96

Base Dissociation Constant (pKb)

-9.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

3669-2137 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3669-2137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3669-2137?
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What is the minimum amount of 3669-2137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3669-2137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3669-2137
  • 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 3669-2137 available by request