4052-1804 Screening compound: 5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-amine

4052-1804 Screening compound: 5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-amine
4052-1804 Screening compound: 5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-1804
5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-amine

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

4052-1804

Molecular Formula

C10H8Cl2N2S (C10 H8 Cl2 N2 S)

Compound Name

5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-amine

IUPAC name

5-[(24-dichlorophenyl)methyl]-13-thiazol-2-amine

SMILES

Nc1ncc(Cc(ccc(Cl)c2)c2Cl)s1

InChI

InChI=1S/C10H8Cl2N2S/c11-7-2-1-6(9(12)4-7)3-8-5-14-10(13)15-8/h1-2,4-5H,3H2,(H2,13,14)

InChI Key

TXWHLSLBDQJHHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00712275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.16

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.855

Distribution Coefficient, logD

3.854

Water Solubility, LogSw

-4.13

Polar Surface Area

31.292

Acid Dissociation Constant (pKa)

19.52

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4052-1804 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 4052-1804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-1804?
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What is the minimum amount of 4052-1804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-1804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-1804
  • 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 4052-1804 available by request