C639-0039 Screening compound: 5-({5-[(4-methoxyphenyl)sulfanyl]furan-2-yl}methylidene)-1,3-diazinane-2,4,6-trione

C639-0039 Screening compound: 5-({5-[(4-methoxyphenyl)sulfanyl]furan-2-yl}methylidene)-1,3-diazinane-2,4,6-trione
C639-0039 Screening compound: 5-({5-[(4-methoxyphenyl)sulfanyl]furan-2-yl}methylidene)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C639-0039
5-({5-[(4-methoxyphenyl)sulfanyl]furan-2-yl}methylidene)-1,3-diazinane-2,4,6-trione

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

C639-0039

Molecular Formula

C16H12N2O5S (C16 H12 N2 O5 S)

Compound Name

5-({5-[(4-methoxyphenyl)sulfanyl]furan-2-yl}methylidene)-1,3-diazinane-2,4,6-trione

IUPAC name

5-({5-[(4-methoxyphenyl)sulfanyl]furan-2-yl}methylidene)-13-diazinane-246-trione

SMILES

COc(cc1)ccc1Sc1ccc(C=C(C(NC(N2)=O)=O)C2=O)o1

InChI

InChI=1S/C16H12N2O5S/c1-22-9-2-5-11(6-3-9)24-13-7-4-10(23-13)8-12-14(19)17-16(21)18-15(12)20/h2-8H,1H3,(H2,17,18,19,20,21)

InChI Key

RJLBNMGBHYMWLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.644

Distribution Coefficient, logD

2.286

Water Solubility, LogSw

-3.25

Polar Surface Area

77.977

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

C639-0039 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C639-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C639-0039?
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What is the minimum amount of C639-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C639-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C639-0039
  • 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 C639-0039 available by request