3792-1415 Screening compound: 1-(3-bromo-4-methoxybenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea

3792-1415 Screening compound: 1-(3-bromo-4-methoxybenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea
3792-1415 Screening compound: 1-(3-bromo-4-methoxybenzoyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3792-1415
1-(3-bromo-4-methoxybenzoyl)-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

3792-1415

Molecular Formula

C16H13BrN4O3S (C16 H13 BrN4 O3 S)

Compound Name

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

IUPAC name

1-(3-bromo-4-methoxybenzoyl)-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)c1Br

InChI

InChI=1S/C16H13BrN4O3S/c1-24-13-5-2-8(6-10(13)17)14(22)21-16(25)18-9-3-4-11-12(7-9)20-15(23)19-11/h2-7H,1H3,(H2,19,20,23)(H2,18,21,22,25)

InChI Key

HDVDLDIYCNDVRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02810545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.199

Distribution Coefficient, logD

3.195

Water Solubility, LogSw

-3.61

Polar Surface Area

76.597

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

3792-1415 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3792-1415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3792-1415?
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What is the minimum amount of 3792-1415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3792-1415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3792-1415
  • 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 3792-1415 available by request