C561-1477 Screening compound: 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide

C561-1477 Screening compound: 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide
C561-1477 Screening compound: 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1477
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-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

C561-1477

Molecular Formula

C27H32N4O4 (C27 H32 N4 O4)

Compound Name

3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide

IUPAC name

3-[2-(24-dimethoxyphenyl)-57-dimethylpyrazolo[15-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide

SMILES

CC(CCc1ccco1)NC(CCc(c(C)nc1c2)c(C)n1nc2-c(ccc(OC)c1)c1OC)=O

InChI

InChI=1S/C27H32N4O4/c1-17(8-9-20-7-6-14-35-20)28-27(32)13-12-22-18(2)29-26-16-24(30-31(26)19(22)3)23-11-10-21(33-4)15-25(23)34-5/h6-7,10-11,14-17H,8-9,12-13H2,1-5H3,(H,28,32)/t17-/m0/s1

InChI Key

LCJFQVLHABSCCC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14770956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.444

Distribution Coefficient, logD

4.434

Water Solubility, LogSw

-4.44

Polar Surface Area

66.285

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

C561-1477 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 C561-1477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1477?
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What is the minimum amount of C561-1477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1477
  • 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 C561-1477 available by request