C639-0100 Screening compound: (5Z)-5-[(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione

C639-0100 Screening compound: (5Z)-5-[(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
C639-0100 Screening compound: (5Z)-5-[(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C639-0100
(5Z)-5-[(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)methylidene]-1-phenyl-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

C639-0100

Molecular Formula

C22H15ClN2O4S (C22 H15 ClN2 O4 S)

Compound Name

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

IUPAC name

(5Z)-5-[(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)methylidene]-1-phenyl-13-diazinane-246-trione

SMILES

O=C(/C(/C(N1c2ccccc2)=O)=C/c(o2)ccc2SCc(cc2)ccc2Cl)NC1=O

InChI

InChI=1S/C22H15ClN2O4S/c23-15-8-6-14(7-9-15)13-30-19-11-10-17(29-19)12-18-20(26)24-22(28)25(21(18)27)16-4-2-1-3-5-16/h1-12H,13H2,(H,24,26,28)

InChI Key

ZQPSKHMTRKGMEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.220

Distribution Coefficient, logD

3.907

Water Solubility, LogSw

-4.66

Polar Surface Area

61.181

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with C639-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C639-0100?
Check Price and Availability of C639-0100, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C639-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C639-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C639-0100
  • 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 C639-0100 available by request