M189-3171 Screening compound: 2-(2-tert-butyl-6-chloro-3-oxo-2,3-dihydro-1H-indazol-1-yl)-N-(4-ethoxyphenyl)acetamide

M189-3171 Screening compound: 2-(2-tert-butyl-6-chloro-3-oxo-2,3-dihydro-1H-indazol-1-yl)-N-(4-ethoxyphenyl)acetamide
M189-3171 Screening compound: 2-(2-tert-butyl-6-chloro-3-oxo-2,3-dihydro-1H-indazol-1-yl)-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M189-3171
2-(2-tert-butyl-6-chloro-3-oxo-2,3-dihydro-1H-indazol-1-yl)-N-(4-ethoxyphenyl)acetamide

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

M189-3171

Molecular Formula

C21H24ClN3O3 (C21 H24 ClN3 O3)

Compound Name

2-(2-tert-butyl-6-chloro-3-oxo-2,3-dihydro-1H-indazol-1-yl)-N-(4-ethoxyphenyl)acetamide

IUPAC name

2-(2-tert-butyl-6-chloro-3-oxo-23-dihydro-1H-indazol-1-yl)-N-(4-ethoxyphenyl)acetamide

SMILES

CCOc(cc1)ccc1NC(CN(c1c2ccc(Cl)c1)N(C(C)(C)C)C2=O)=O

InChI

InChI=1S/C21H24ClN3O3/c1-5-28-16-9-7-15(8-10-16)23-19(26)13-24-18-12-14(22)6-11-17(18)20(27)25(24)21(2,3)4/h6-12H,5,13H2,1-4H3,(H,23,26)

InChI Key

LCTWFBOAJGFZKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.232

Distribution Coefficient, logD

4.232

Water Solubility, LogSw

-4.46

Polar Surface Area

50.258

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with M189-3171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M189-3171?
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What is the minimum amount of M189-3171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M189-3171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M189-3171
  • 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 M189-3171 available by request