M050-0985 Screening compound: 4-amino-N3-[(3-methoxyphenyl)methyl]-N5-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide

M050-0985 Screening compound: 4-amino-N3-[(3-methoxyphenyl)methyl]-N5-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide
M050-0985 Screening compound: 4-amino-N3-[(3-methoxyphenyl)methyl]-N5-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M050-0985
4-amino-N3-[(3-methoxyphenyl)methyl]-N5-(2-methylpropyl)-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

M050-0985

Molecular Formula

C17H22N4O3S (C17 H22 N4 O3 S)

Compound Name

4-amino-N3-[(3-methoxyphenyl)methyl]-N5-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide

IUPAC name

4-amino-N3-[(3-methoxyphenyl)methyl]-N5-(2-methylpropyl)-12-thiazole-35-dicarboxamide

SMILES

CC(C)CNC(c(snc1C(NCc2cc(OC)ccc2)=O)c1N)=O

InChI

InChI=1S/C17H22N4O3S/c1-10(2)8-19-17(23)15-13(18)14(21-25-15)16(22)20-9-11-5-4-6-12(7-11)24-3/h4-7,10H,8-9,18H2,1-3H3,(H,19,23)(H,20,22)

InChI Key

JPGBIBPQRXKBCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.130

Distribution Coefficient, logD

2.130

Water Solubility, LogSw

-2.79

Polar Surface Area

87.529

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

M050-0985 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M050-0985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M050-0985?
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What is the minimum amount of M050-0985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M050-0985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M050-0985
  • 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 M050-0985 available by request