4076-0337 Screening compound: 3-[4-(benzyloxy)-3-methoxyphenyl]-N'-[(E)-(2-methyl-1H-indol-3-yl)methylidene]-1H-pyrazole-5-carbohydrazide

4076-0337 Screening compound: 3-[4-(benzyloxy)-3-methoxyphenyl]-N'-[(E)-(2-methyl-1H-indol-3-yl)methylidene]-1H-pyrazole-5-carbohydrazide
4076-0337 Screening compound: 3-[4-(benzyloxy)-3-methoxyphenyl]-N'-[(E)-(2-methyl-1H-indol-3-yl)methylidene]-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4076-0337
3-[4-(benzyloxy)-3-methoxyphenyl]-N'-[(E)-(2-methyl-1H-indol-3-yl)methylidene]-1H-pyrazole-5-carbohydrazide

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

4076-0337

Molecular Formula

C28H25N5O3 (C28 H25 N5 O3)

Compound Name

3-[4-(benzyloxy)-3-methoxyphenyl]-N'-[(E)-(2-methyl-1H-indol-3-yl)methylidene]-1H-pyrazole-5-carbohydrazide

IUPAC name

3-[4-(benzyloxy)-3-methoxyphenyl]-N'-[(E)-(2-methyl-1H-indol-3-yl)methylidene]-1H-pyrazole-5-carbohydrazide

SMILES

Cc1c(/C=N/NC(c2cc(-c(cc3)cc(OC)c3OCc3ccccc3)n[nH]2)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C28H25N5O3/c1-18-22(21-10-6-7-11-23(21)30-18)16-29-33-28(34)25-15-24(31-32-25)20-12-13-26(27(14-20)35-2)36-17-19-8-4-3-5-9-19/h3-16,30H,17H2,1-2H3,(H,31,32)(H,33,34)

InChI Key

QHUDRMKQLNWEHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.622

Distribution Coefficient, logD

5.620

Water Solubility, LogSw

-5.78

Polar Surface Area

82.915

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

4076-0337 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 4076-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4076-0337?
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What is the minimum amount of 4076-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4076-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4076-0337
  • 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 4076-0337 available by request