M050-0333 Screening compound: 4-amino-N3-[(2-chlorophenyl)methyl]-N5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide

M050-0333 Screening compound: 4-amino-N3-[(2-chlorophenyl)methyl]-N5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide
M050-0333 Screening compound: 4-amino-N3-[(2-chlorophenyl)methyl]-N5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M050-0333
4-amino-N3-[(2-chlorophenyl)methyl]-N5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide

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

M050-0333

Molecular Formula

C22H23ClN4O4S (C22 H23 ClN4 O4 S)

Compound Name

4-amino-N3-[(2-chlorophenyl)methyl]-N5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide

IUPAC name

4-amino-N3-[(2-chlorophenyl)methyl]-N5-[2-(34-dimethoxyphenyl)ethyl]-12-thiazole-35-dicarboxamide

SMILES

COc(ccc(CCNC(c(snc1C(NCc(cccc2)c2Cl)=O)c1N)=O)c1)c1OC

InChI

InChI=1S/C22H23ClN4O4S/c1-30-16-8-7-13(11-17(16)31-2)9-10-25-22(29)20-18(24)19(27-32-20)21(28)26-12-14-5-3-4-6-15(14)23/h3-8,11H,9-10,12,24H2,1-2H3,(H,25,29)(H,26,28)

InChI Key

OJYRQTBTEFUJII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.680

Distribution Coefficient, logD

2.680

Water Solubility, LogSw

-3.45

Polar Surface Area

94.816

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with M050-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M050-0333?
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What is the minimum amount of M050-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M050-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M050-0333
  • 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 M050-0333 available by request