3970-2183 Screening compound: 5-[(3-bromo-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

3970-2183 Screening compound: 5-[(3-bromo-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
3970-2183 Screening compound: 5-[(3-bromo-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3970-2183
5-[(3-bromo-4-hydroxyphenyl)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

3970-2183

Molecular Formula

C11H7BrN2O3S (C11 H7 BrN2 O3 S)

Compound Name

5-[(3-bromo-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-[(3-bromo-4-hydroxyphenyl)methylidene]-2-sulfanylidene-13-diazinane-46-dione

SMILES

Oc(ccc(C=C(C(NC(N1)=S)=O)C1=O)c1)c1Br

InChI

InChI=1S/C11H7BrN2O3S/c12-7-4-5(1-2-8(7)15)3-6-9(16)13-11(18)14-10(6)17/h1-4,15H,(H2,13,14,16,17,18)

InChI Key

CVOMNMVXGWAHAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01053074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.16

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.056

Distribution Coefficient, logD

1.630

Water Solubility, LogSw

-2.71

Polar Surface Area

66.174

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-9.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3970-2183 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3970-2183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3970-2183?
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What is the minimum amount of 3970-2183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3970-2183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3970-2183
  • 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 3970-2183 available by request