C919-0513 Screening compound: 1-(4-benzylpiperidino)-3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-1-propanone

C919-0513 Screening compound: 1-(4-benzylpiperidino)-3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-1-propanone
C919-0513 Screening compound: 1-(4-benzylpiperidino)-3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C919-0513
1-(4-benzylpiperidino)-3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-1-propanone

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

C919-0513

Molecular Formula

C28H33N5O (C28 H33 N5 O)

Compound Name

1-(4-benzylpiperidino)-3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-1-propanone

IUPAC name

1-(4-benzylpiperidin-1-yl)-3-{461113-tetramethyl-37810-tetraazatricyclo[7.4.0.0^{27}]trideca-13581012-hexaen-5-yl}propan-1-one

SMILES

Cc1cc(C)nc2nn3c(C)c(CCC(N4CCC(Cc5ccccc5)CC4)=O)c(C)nc3c12

InChI

InChI=1S/C28H33N5O/c1-18-16-19(2)29-27-26(18)28-30-20(3)24(21(4)33(28)31-27)10-11-25(34)32-14-12-23(13-15-32)17-22-8-6-5-7-9-22/h5-9,16,23H,10-15,17H2,1-4H3

InChI Key

CWWSOQIVRWIESZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.733

Distribution Coefficient, logD

4.733

Water Solubility, LogSw

-4.90

Polar Surface Area

45.852

Acid Dissociation Constant (pKa)

21.74

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C919-0513 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C919-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C919-0513?
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What is the minimum amount of C919-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C919-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C919-0513
  • 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 C919-0513 available by request