3284-0756 Screening compound: 3-[(E)-[(5-bromo-2,4-dimethoxyphenyl)methylidene]amino]-1-phenylthiourea

3284-0756 Screening compound: 3-[(E)-[(5-bromo-2,4-dimethoxyphenyl)methylidene]amino]-1-phenylthiourea
3284-0756 Screening compound: 3-[(E)-[(5-bromo-2,4-dimethoxyphenyl)methylidene]amino]-1-phenylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3284-0756
3-[(E)-[(5-bromo-2,4-dimethoxyphenyl)methylidene]amino]-1-phenylthiourea

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

3284-0756

Molecular Formula

C16H16BrN3O2S (C16 H16 BrN3 O2 S)

Compound Name

3-[(E)-[(5-bromo-2,4-dimethoxyphenyl)methylidene]amino]-1-phenylthiourea

IUPAC name

3-[(E)-[(5-bromo-24-dimethoxyphenyl)methylidene]amino]-1-phenylthiourea

SMILES

COc(c(/C=N/NC(Nc1ccccc1)=S)c1)cc(OC)c1Br

InChI

InChI=1S/C16H16BrN3O2S/c1-21-14-9-15(22-2)13(17)8-11(14)10-18-20-16(23)19-12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,19,20,23)

InChI Key

WNNFVUIPJLHWGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02003559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.771

Distribution Coefficient, logD

4.771

Water Solubility, LogSw

-4.59

Polar Surface Area

46.546

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3284-0756 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3284-0756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3284-0756?
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What is the minimum amount of 3284-0756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3284-0756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3284-0756
  • 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 3284-0756 available by request