4126-0385 Screening compound: 1-(3,5-dimethoxybenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea

4126-0385 Screening compound: 1-(3,5-dimethoxybenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea
4126-0385 Screening compound: 1-(3,5-dimethoxybenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4126-0385
1-(3,5-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

4126-0385

Molecular Formula

C17H16N4O4S (C17 H16 N4 O4 S)

Compound Name

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

IUPAC name

1-(35-dimethoxybenzoyl)-3-(2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)thiourea

SMILES

COc1cc(C(NC(Nc(cc2)cc(N3)c2NC3=O)=S)=O)cc(OC)c1

InChI

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

InChI Key

AVJGCGXROKUVNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03549210

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

2.827

Distribution Coefficient, logD

2.827

Water Solubility, LogSw

-3.58

Polar Surface Area

84.054

Acid Dissociation Constant (pKa)

11.26

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 4126-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4126-0385?
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What is the minimum amount of 4126-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4126-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4126-0385
  • 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 4126-0385 available by request