G789-1550 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

G789-1550 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
G789-1550 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G789-1550
N-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)-3-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

G789-1550

Molecular Formula

C25H26FN3O3S (C25 H26 FN3 O3 S)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)-3-methyl-1H-thieno[23-c]pyrazole-5-carboxamide

SMILES

CCOc(ccc(CCNC(c1cc(c(C)nn2-c(cc3)ccc3F)c2s1)=O)c1)c1OCC

InChI

InChI=1S/C25H26FN3O3S/c1-4-31-21-11-6-17(14-22(21)32-5-2)12-13-27-24(30)23-15-20-16(3)28-29(25(20)33-23)19-9-7-18(26)8-10-19/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,27,30)

InChI Key

PXQVKABXEQLIMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27158062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.025

Distribution Coefficient, logD

4.025

Water Solubility, LogSw

-4.01

Polar Surface Area

53.688

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

G789-1550 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G789-1550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G789-1550?
Check Price and Availability of G789-1550, 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 G789-1550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G789-1550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G789-1550
  • 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 G789-1550 available by request