C453-0168 Screening compound: N-(4-methoxybenzyl)-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

C453-0168 Screening compound: N-(4-methoxybenzyl)-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
C453-0168 Screening compound: N-(4-methoxybenzyl)-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C453-0168
N-(4-methoxybenzyl)-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

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

C453-0168

Molecular Formula

C22H21N3O3S (C22 H21 N3 O3 S)

Compound Name

N-(4-methoxybenzyl)-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

IUPAC name

3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-methyl-1H-thieno[23-c]pyrazole-5-carboxamide

SMILES

Cn(c1c2cc(C(NCc(cc3)ccc3OC)=O)s1)nc2-c1cc(OC)ccc1

InChI

InChI=1S/C22H21N3O3S/c1-25-22-18(20(24-25)15-5-4-6-17(11-15)28-3)12-19(29-22)21(26)23-13-14-7-9-16(27-2)10-8-14/h4-12H,13H2,1-3H3,(H,23,26)

InChI Key

GBOMNBXVMALADG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

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

3.968

Distribution Coefficient, logD

3.968

Water Solubility, LogSw

-4.22

Polar Surface Area

54.857

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

C453-0168 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C453-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C453-0168?
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What is the minimum amount of C453-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C453-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C453-0168
  • 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 C453-0168 available by request