C614-5656 Screening compound: methyl 4-[2-(4-ethoxyphenyl)-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-6-amido]benzoate

C614-5656 Screening compound: methyl 4-[2-(4-ethoxyphenyl)-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-6-amido]benzoate
C614-5656 Screening compound: methyl 4-[2-(4-ethoxyphenyl)-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-6-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5656
methyl 4-[2-(4-ethoxyphenyl)-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-6-amido]benzoate

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

C614-5656

Molecular Formula

C28H29N5O4 (C28 H29 N5 O4)

Compound Name

methyl 4-[2-(4-ethoxyphenyl)-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-6-amido]benzoate

IUPAC name

n/a

SMILES

CCOc(cc1)ccc1-c1nn(cc(C(Nc(cc2)ccc2C(OC)=O)=O)c(C2CCNCC2)n2)c2c1

InChI

InChI=1S/C28H29N5O4/c1-3-37-22-10-6-18(7-11-22)24-16-25-31-26(19-12-14-29-15-13-19)23(17-33(25)32-24)27(34)30-21-8-4-20(5-9-21)28(35)36-2/h4-11,16-17,19,29H,3,12-15H2,1-2H3,(H,30,34)

InChI Key

BDFITVPKIZNDRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776657

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

499.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.551

Distribution Coefficient, logD

0.704

Water Solubility, LogSw

-3.53

Polar Surface Area

83.703

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

10.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C614-5656 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C614-5656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5656?
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What is the minimum amount of C614-5656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5656
  • 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 C614-5656 available by request