C561-1318 Screening compound: METHYL 3-METHYL-2-{[3-(2,5,7-TRIMETHYL-3-PHENYLPYRAZOLO[1,5-A]PYRIMIDIN-6-YL)PROPANOYL]AMINO}BUTANOATE

C561-1318 Screening compound: METHYL 3-METHYL-2-{[3-(2,5,7-TRIMETHYL-3-PHENYLPYRAZOLO[1,5-A]PYRIMIDIN-6-YL)PROPANOYL]AMINO}BUTANOATE
C561-1318 Screening compound: METHYL 3-METHYL-2-{[3-(2,5,7-TRIMETHYL-3-PHENYLPYRAZOLO[1,5-A]PYRIMIDIN-6-YL)PROPANOYL]AMINO}BUTANOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1318
METHYL 3-METHYL-2-{[3-(2,5,7-TRIMETHYL-3-PHENYLPYRAZOLO[1,5-A]PYRIMIDIN-6-YL)PROPANOYL]AMINO}BUTANOATE

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

C561-1318

Molecular Formula

C24H30N4O3 (C24 H30 N4 O3)

Compound Name

METHYL 3-METHYL-2-{[3-(2,5,7-TRIMETHYL-3-PHENYLPYRAZOLO[1,5-A]PYRIMIDIN-6-YL)PROPANOYL]AMINO}BUTANOATE

IUPAC name

n/a

SMILES

CC(C)C(C(OC)=O)NC(CCc1c(C)n2nc(C)c(-c3ccccc3)c2nc1C)=O

InChI

InChI=1S/C24H30N4O3/c1-14(2)22(24(30)31-6)26-20(29)13-12-19-15(3)25-23-21(18-10-8-7-9-11-18)16(4)27-28(23)17(19)5/h7-11,14,22H,12-13H2,1-6H3,(H,26,29)/t22-/m0/s1

InChI Key

QOUWPHYCKSEEHI-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14770835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.404

Distribution Coefficient, logD

3.402

Water Solubility, LogSw

-3.79

Polar Surface Area

65.842

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.00

C561-1318 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 C561-1318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1318?
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What is the minimum amount of C561-1318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1318
  • 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 C561-1318 available by request