C498-0931 Screening compound: 2-(diethylamino)ethyl 4-[3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-amido]benzoate

C498-0931 Screening compound: 2-(diethylamino)ethyl 4-[3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-amido]benzoate
C498-0931 Screening compound: 2-(diethylamino)ethyl 4-[3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0931
2-(diethylamino)ethyl 4-[3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-amido]benzoate

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

C498-0931

Molecular Formula

C26H27FN4O3S (C26 H27 FN4 O3 S)

Compound Name

2-(diethylamino)ethyl 4-[3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-amido]benzoate

IUPAC name

2-(diethylamino)ethyl 4-[3-(2-fluorophenyl)-1-methyl-1H-thieno[23-c]pyrazole-5-amido]benzoate

SMILES

CCN(CC)CCOC(c(cc1)ccc1NC(c1cc(c(-c(cccc2)c2F)nn2C)c2s1)=O)=O

InChI

InChI=1S/C26H27FN4O3S/c1-4-31(5-2)14-15-34-26(33)17-10-12-18(13-11-17)28-24(32)22-16-20-23(29-30(3)25(20)35-22)19-8-6-7-9-21(19)27/h6-13,16H,4-5,14-15H2,1-3H3,(H,28,32)

InChI Key

YJQGAXPXZHAUSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.203

Distribution Coefficient, logD

4.234

Water Solubility, LogSw

-5.08

Polar Surface Area

62.906

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C498-0931 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • 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 C498-0931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0931?
Check Price and Availability of C498-0931, 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 C498-0931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0931
  • 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 C498-0931 available by request