3820-6355 Screening compound: 1-benzoyl-3-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)thiourea

3820-6355 Screening compound: 1-benzoyl-3-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)thiourea
3820-6355 Screening compound: 1-benzoyl-3-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3820-6355
1-benzoyl-3-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-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

3820-6355

Molecular Formula

C21H17N5OS (C21 H17 N5 OS)

Compound Name

1-benzoyl-3-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)thiourea

IUPAC name

1-benzoyl-3-(6-methyl-2-phenyl-2H-123-benzotriazol-5-yl)thiourea

SMILES

Cc1cc2nn(-c3ccccc3)nc2cc1NC(NC(c1ccccc1)=O)=S

InChI

InChI=1S/C21H17N5OS/c1-14-12-18-19(25-26(24-18)16-10-6-3-7-11-16)13-17(14)22-21(28)23-20(27)15-8-4-2-5-9-15/h2-13H,1H3,(H2,22,23,27,28)

InChI Key

AGLCTFYNYCKCDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02578391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.376

Distribution Coefficient, logD

4.373

Water Solubility, LogSw

-4.33

Polar Surface Area

56.576

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

3820-6355 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 3820-6355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3820-6355?
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What is the minimum amount of 3820-6355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3820-6355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3820-6355
  • 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 3820-6355 available by request