4321-3235 Screening compound: 1-(3,4-dimethoxybenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea

4321-3235 Screening compound: 1-(3,4-dimethoxybenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea
4321-3235 Screening compound: 1-(3,4-dimethoxybenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4321-3235
1-(3,4-dimethoxybenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea

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

4321-3235

Molecular Formula

C17H16N4O4S (C17 H16 N4 O4 S)

Compound Name

1-(3,4-dimethoxybenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea

IUPAC name

1-(34-dimethoxybenzoyl)-3-(2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)thiourea

SMILES

COc(ccc(C(NC(Nc(cc1)cc(N2)c1NC2=O)=S)=O)c1)c1OC

InChI

InChI=1S/C17H16N4O4S/c1-24-13-6-3-9(7-14(13)25-2)15(22)21-17(26)18-10-4-5-11-12(8-10)20-16(23)19-11/h3-8H,1-2H3,(H2,19,20,23)(H2,18,21,22,26)

InChI Key

NOFZBVUVMAJRAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02577952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.185

Distribution Coefficient, logD

2.185

Water Solubility, LogSw

-2.97

Polar Surface Area

84.227

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 4321-3235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4321-3235?
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What is the minimum amount of 4321-3235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4321-3235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4321-3235
  • 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 4321-3235 available by request