C799-0623 Screening compound: methyl 3-methyl-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylate

C799-0623 Screening compound: methyl 3-methyl-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylate
C799-0623 Screening compound: methyl 3-methyl-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0623
methyl 3-methyl-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-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

C799-0623

Molecular Formula

C17H17N3O2 (C17 H17 N3 O2)

Compound Name

methyl 3-methyl-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylate

IUPAC name

methyl 3-methyl-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylate

SMILES

Cc(c(C(OC)=O)c1-n2cccc2)nn1-c1cc(C)ccc1

InChI

InChI=1S/C17H17N3O2/c1-12-7-6-8-14(11-12)20-16(19-9-4-5-10-19)15(13(2)18-20)17(21)22-3/h4-11H,1-3H3

InChI Key

VSGJUYYOESCCDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14280695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.478

Distribution Coefficient, logD

3.478

Water Solubility, LogSw

-3.74

Polar Surface Area

38.622

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C799-0623 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

SH2 Library (10483 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Endocrine
Agro:
  • Agro
  • Agro
Targets:
  • Others
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C799-0623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0623?
Check Price and Availability of C799-0623, 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 C799-0623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0623
  • 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 C799-0623 available by request