C509-0043 Screening compound: 3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

C509-0043 Screening compound: 3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
C509-0043 Screening compound: 3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C509-0043
3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-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

C509-0043

Molecular Formula

C21H18ClN3O2S (C21 H18 ClN3 O2 S)

Compound Name

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

IUPAC name

3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methyl-1H-thieno[23-c]pyrazole-5-carboxamide

SMILES

Cn(c1c2cc(C(NCc(cccc3)c3OC)=O)s1)nc2-c(cc1)ccc1Cl

InChI

InChI=1S/C21H18ClN3O2S/c1-25-21-16(19(24-25)13-7-9-15(22)10-8-13)11-18(28-21)20(26)23-12-14-5-3-4-6-17(14)27-2/h3-11H,12H2,1-2H3,(H,23,26)

InChI Key

XYWKLPCQRJWMAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.653

Distribution Coefficient, logD

4.653

Water Solubility, LogSw

-4.88

Polar Surface Area

47.400

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C509-0043 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 C509-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C509-0043?
Check Price and Availability of C509-0043, 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 C509-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C509-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C509-0043
  • 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 C509-0043 available by request