C883-0347 Screening compound: ethyl 4-({[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}amino)tetrahydro-1(2H)-pyridinecarboxylate

C883-0347 Screening compound: ethyl 4-({[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}amino)tetrahydro-1(2H)-pyridinecarboxylate
C883-0347 Screening compound: ethyl 4-({[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}amino)tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C883-0347
ethyl 4-({[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-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

C883-0347

Molecular Formula

C23H27N5O3 (C23 H27 N5 O3)

Compound Name

ethyl 4-({[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}amino)tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

ethyl 4-[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-amido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c1c(-n2cccc2)n(-c2ccccc2)nc1C)=O)=O

InChI

InChI=1S/C23H27N5O3/c1-3-31-23(30)27-15-11-18(12-16-27)24-21(29)20-17(2)25-28(19-9-5-4-6-10-19)22(20)26-13-7-8-14-26/h4-10,13-14,18H,3,11-12,15-16H2,1-2H3,(H,24,29)

InChI Key

MZOROEJJJBNXPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.015

Distribution Coefficient, logD

3.015

Water Solubility, LogSw

-3.17

Polar Surface Area

64.367

Acid Dissociation Constant (pKa)

16.25

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

C883-0347 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C883-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C883-0347?
Check Price and Availability of C883-0347, 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 C883-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C883-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C883-0347
  • 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 C883-0347 available by request