4744-0013 Screening compound: quinolin-8-yl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate

4744-0013 Screening compound: quinolin-8-yl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
4744-0013 Screening compound: quinolin-8-yl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4744-0013
quinolin-8-yl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate

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

4744-0013

Molecular Formula

C22H15N3O2S (C22 H15 N3 O2 S)

Compound Name

quinolin-8-yl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate

IUPAC name

quinolin-8-yl 3-methyl-1-phenyl-1H-thieno[23-c]pyrazole-5-carboxylate

SMILES

Cc(c1c2sc(C(Oc3cccc4cccnc34)=O)c1)nn2-c1ccccc1

InChI

InChI=1S/C22H15N3O2S/c1-14-17-13-19(28-21(17)25(24-14)16-9-3-2-4-10-16)22(26)27-18-11-5-7-15-8-6-12-23-20(15)18/h2-13H,1H3

InChI Key

RMYJGDLBCZZPBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01622939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.541

Distribution Coefficient, logD

4.541

Water Solubility, LogSw

-4.41

Polar Surface Area

45.011

Acid Dissociation Constant (pKa)

31.97

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

4744-0013 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4744-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4744-0013?
Check Price and Availability of 4744-0013, 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 4744-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4744-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4744-0013
  • 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 4744-0013 available by request