3820-3644 Screening compound: 1-(2-chlorobenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea

3820-3644 Screening compound: 1-(2-chlorobenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea
3820-3644 Screening compound: 1-(2-chlorobenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3820-3644
1-(2-chlorobenzoyl)-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

3820-3644

Molecular Formula

C15H11ClN4O2S (C15 H11 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1)c1Cl)NC(Nc(cc1)cc(N2)c1NC2=O)=S

InChI

InChI=1S/C15H11ClN4O2S/c16-10-4-2-1-3-9(10)13(21)20-15(23)17-8-5-6-11-12(7-8)19-14(22)18-11/h1-7H,(H2,18,19,22)(H2,17,20,21,23)

InChI Key

DVAKTTNLLGLIPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02917601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.016

Distribution Coefficient, logD

3.008

Water Solubility, LogSw

-3.83

Polar Surface Area

68.967

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3820-3644 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3820-3644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3820-3644?
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What is the minimum amount of 3820-3644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3820-3644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3820-3644
  • 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 3820-3644 available by request