C614-5472 Screening compound: 5-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C614-5472 Screening compound: 5-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
C614-5472 Screening compound: 5-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5472
5-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

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

C614-5472

Molecular Formula

C25H30N4O5 (C25 H30 N4 O5)

Compound Name

5-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

IUPAC name

5-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-2-(4-ethoxyphenyl)pyrazolo[15-a]pyrimidine-6-carboxylic acid

SMILES

CCOc(cc1)ccc1-c1nn(cc(C(O)=O)c(C(CC2)CCN2C(OC(C)(C)C)=O)n2)c2c1

InChI

InChI=1S/C25H30N4O5/c1-5-33-18-8-6-16(7-9-18)20-14-21-26-22(19(23(30)31)15-29(21)27-20)17-10-12-28(13-11-17)24(32)34-25(2,3)4/h6-9,14-15,17H,5,10-13H2,1-4H3,(H,30,31)

InChI Key

ZFQFJBZVTBQNFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.612

Distribution Coefficient, logD

4.251

Water Solubility, LogSw

-5.17

Polar Surface Area

77.775

Acid Dissociation Constant (pKa)

6.06

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C614-5472 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C614-5472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5472?
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What is the minimum amount of C614-5472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5472
  • 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 C614-5472 available by request