3620-1073 Screening compound: 5-{[3-bromo-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

3620-1073 Screening compound: 5-{[3-bromo-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
3620-1073 Screening compound: 5-{[3-bromo-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3620-1073
5-{[3-bromo-4-(prop-2-en-1-yloxy)phenyl]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

3620-1073

Molecular Formula

C14H11BrN2O3S (C14 H11 BrN2 O3 S)

Compound Name

5-{[3-bromo-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-{[3-bromo-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2-sulfanylidene-13-diazinane-46-dione

SMILES

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

InChI

InChI=1S/C14H11BrN2O3S/c1-2-5-20-11-4-3-8(7-10(11)15)6-9-12(18)16-14(21)17-13(9)19/h2-4,6-7H,1,5H2,(H2,16,17,18,19,21)

InChI Key

PEAANORLNVYNPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02292312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.138

Distribution Coefficient, logD

2.713

Water Solubility, LogSw

-3.41

Polar Surface Area

57.130

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-9.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 3620-1073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3620-1073?
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What is the minimum amount of 3620-1073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3620-1073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3620-1073
  • 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 3620-1073 available by request