C919-0581 Screening compound: N~1~-(3-methylphenethyl)-3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanamide

C919-0581 Screening compound: N~1~-(3-methylphenethyl)-3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanamide
C919-0581 Screening compound: N~1~-(3-methylphenethyl)-3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C919-0581
N~1~-(3-methylphenethyl)-3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanamide

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

C919-0581

Molecular Formula

C25H29N5O (C25 H29 N5 O)

Compound Name

N~1~-(3-methylphenethyl)-3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanamide

IUPAC name

N-[2-(3-methylphenyl)ethyl]-3-{461113-tetramethyl-37810-tetraazatricyclo[7.4.0.0^{27}]trideca-13581012-hexaen-5-yl}propanamide

SMILES

Cc1cccc(CCNC(CCc2c(C)n3nc4nc(C)cc(C)c4c3nc2C)=O)c1

InChI

InChI=1S/C25H29N5O/c1-15-7-6-8-20(13-15)11-12-26-22(31)10-9-21-18(4)28-25-23-16(2)14-17(3)27-24(23)29-30(25)19(21)5/h6-8,13-14H,9-12H2,1-5H3,(H,26,31)

InChI Key

NFBFNVDVHUIZSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.535

Distribution Coefficient, logD

3.535

Water Solubility, LogSw

-3.94

Polar Surface Area

54.044

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C919-0581 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C919-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C919-0581?
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What is the minimum amount of C919-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C919-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C919-0581
  • 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 C919-0581 available by request