C453-0270 Screening compound: 1-[3-(3,4-dimethoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]pyrrolidine

C453-0270 Screening compound: 1-[3-(3,4-dimethoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]pyrrolidine
C453-0270 Screening compound: 1-[3-(3,4-dimethoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C453-0270
1-[3-(3,4-dimethoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]pyrrolidine

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

C453-0270

Molecular Formula

C19H21N3O3S (C19 H21 N3 O3 S)

Compound Name

1-[3-(3,4-dimethoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]pyrrolidine

IUPAC name

1-[3-(34-dimethoxyphenyl)-1-methyl-1H-thieno[23-c]pyrazole-5-carbonyl]pyrrolidine

SMILES

Cn(c1c2cc(C(N3CCCC3)=O)s1)nc2-c(cc1)cc(OC)c1OC

InChI

InChI=1S/C19H21N3O3S/c1-21-19-13(11-16(26-19)18(23)22-8-4-5-9-22)17(20-21)12-6-7-14(24-2)15(10-12)25-3/h6-7,10-11H,4-5,8-9H2,1-3H3

InChI Key

BKKMVPQCVCCFEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.932

Distribution Coefficient, logD

2.932

Water Solubility, LogSw

-3.21

Polar Surface Area

47.631

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

C453-0270 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 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 C453-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C453-0270?
Check Price and Availability of C453-0270, 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 C453-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C453-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C453-0270
  • 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 C453-0270 available by request