C509-0191 Screening compound: ethyl 4-({[3-(4-chlorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}amino)tetrahydro-1(2H)-pyridinecarboxylate

C509-0191 Screening compound: ethyl 4-({[3-(4-chlorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}amino)tetrahydro-1(2H)-pyridinecarboxylate
C509-0191 Screening compound: ethyl 4-({[3-(4-chlorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}amino)tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C509-0191
ethyl 4-({[3-(4-chlorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}amino)tetrahydro-1(2H)-pyridinecarboxylate

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

C509-0191

Molecular Formula

C21H23ClN4O3S (C21 H23 ClN4 O3 S)

Compound Name

ethyl 4-({[3-(4-chlorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}amino)tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

n/a

SMILES

CCOC(N(CC1)CCC1NC(c1cc(c(-c(cc2)ccc2Cl)nn2C)c2s1)=O)=O

InChI

InChI=1S/C21H23ClN4O3S/c1-3-29-21(28)26-10-8-15(9-11-26)23-19(27)17-12-16-18(24-25(2)20(16)30-17)13-4-6-14(22)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3,(H,23,27)

InChI Key

BOYLLMVGTLPOBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.928

Distribution Coefficient, logD

3.928

Water Solubility, LogSw

-4.45

Polar Surface Area

62.275

Acid Dissociation Constant (pKa)

16.28

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C509-0191 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C509-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C509-0191?
Check Price and Availability of C509-0191, 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 C509-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C509-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C509-0191
  • 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 C509-0191 available by request