C453-0097 Screening compound: N~5~-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

C453-0097 Screening compound: N~5~-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
C453-0097 Screening compound: N~5~-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C453-0097
N~5~-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-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

C453-0097

Molecular Formula

C23H21N3O4S (C23 H21 N3 O4 S)

Compound Name

N~5~-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

IUPAC name

n/a

SMILES

Cn(c1c2cc(C(NCC3Oc(cccc4)c4OC3)=O)s1)nc2-c1cc(OC)ccc1

InChI

InChI=1S/C23H21N3O4S/c1-26-23-17(21(25-26)14-6-5-7-15(10-14)28-2)11-20(31-23)22(27)24-12-16-13-29-18-8-3-4-9-19(18)30-16/h3-11,16H,12-13H2,1-2H3,(H,24,27)/t16-/m0/s1

InChI Key

MXTNWILUZPBXDL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14759600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.849

Distribution Coefficient, logD

3.849

Water Solubility, LogSw

-4.14

Polar Surface Area

62.993

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

C453-0097 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C453-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C453-0097?
Check Price and Availability of C453-0097, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C453-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C453-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C453-0097
  • 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 C453-0097 available by request