C614-5657 Screening compound: ethyl 4-({[2-(4-ethoxyphenyl)-5-(4-piperidyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbonyl}amino)benzoate

C614-5657 Screening compound: ethyl 4-({[2-(4-ethoxyphenyl)-5-(4-piperidyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbonyl}amino)benzoate
C614-5657 Screening compound: ethyl 4-({[2-(4-ethoxyphenyl)-5-(4-piperidyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5657
ethyl 4-({[2-(4-ethoxyphenyl)-5-(4-piperidyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbonyl}amino)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

C614-5657

Molecular Formula

C29H31N5O4 (C29 H31 N5 O4)

Compound Name

ethyl 4-({[2-(4-ethoxyphenyl)-5-(4-piperidyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbonyl}amino)benzoate

IUPAC name

ethyl 4-[2-(4-ethoxyphenyl)-5-(piperidin-4-yl)pyrazolo[15-a]pyrimidine-6-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(c(C1CCNCC1)nc1c2)cn1nc2-c(cc1)ccc1OCC)=O)=O

InChI

InChI=1S/C29H31N5O4/c1-3-37-23-11-7-19(8-12-23)25-17-26-32-27(20-13-15-30-16-14-20)24(18-34(26)33-25)28(35)31-22-9-5-21(6-10-22)29(36)38-4-2/h5-12,17-18,20,30H,3-4,13-16H2,1-2H3,(H,31,35)

InChI Key

ZRIVCTXXEXBIIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776658

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

513.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.062

Distribution Coefficient, logD

1.215

Water Solubility, LogSw

-3.95

Polar Surface Area

83.283

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

10.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.03

C614-5657 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C614-5657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5657?
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What is the minimum amount of C614-5657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5657
  • 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 C614-5657 available by request