1588-0269 Screening compound: 5-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

1588-0269 Screening compound: 5-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
1588-0269 Screening compound: 5-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1588-0269
5-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-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

1588-0269

Molecular Formula

C19H15ClN2O4S (C19 H15 ClN2 O4 S)

Compound Name

5-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-2-sulfanylidene-13-diazinane-46-dione

SMILES

COc(cc(C=C(C(NC(N1)=S)=O)C1=O)cc1)c1OCc(cc1)ccc1Cl

InChI

InChI=1S/C19H15ClN2O4S/c1-25-16-9-12(8-14-17(23)21-19(27)22-18(14)24)4-7-15(16)26-10-11-2-5-13(20)6-3-11/h2-9H,10H2,1H3,(H2,21,22,23,24,27)

InChI Key

YGHGGZBJOYSRBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01021957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.713

Distribution Coefficient, logD

3.287

Water Solubility, LogSw

-4.46

Polar Surface Area

64.570

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-9.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

1588-0269 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1588-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1588-0269?
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What is the minimum amount of 1588-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1588-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1588-0269
  • 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 1588-0269 available by request