8001-9829 Screening compound: 5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

8001-9829 Screening compound: 5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
8001-9829 Screening compound: 5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-9829
5-{[5-(4-chlorophenyl)furan-2-yl]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

8001-9829

Molecular Formula

C15H9ClN2O3S (C15 H9 ClN2 O3 S)

Compound Name

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

IUPAC name

5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-2-sulfanylidene-13-diazinane-46-dione

SMILES

O=C(C(C(N1)=O)=Cc2ccc(-c(cc3)ccc3Cl)o2)NC1=S

InChI

InChI=1S/C15H9ClN2O3S/c16-9-3-1-8(2-4-9)12-6-5-10(21-12)7-11-13(19)17-15(22)18-14(11)20/h1-7H,(H2,17,18,19,20,22)

InChI Key

NNWLPFQBLCNFON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00402463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.763

Distribution Coefficient, logD

3.325

Water Solubility, LogSw

-4.57

Polar Surface Area

57.196

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

-10.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8001-9829 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8001-9829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-9829?
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What is the minimum amount of 8001-9829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-9829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-9829
  • 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 8001-9829 available by request