F677-0594 Screening compound: 1-{4-[(4-methylphenyl)methyl]-3-oxo-3H,4H-pyrido[2,3-b]pyrazin-2-yl}-N-[2-(thiophen-2-yl)ethyl]piperidine-3-carboxamide

F677-0594 Screening compound: 1-{4-[(4-methylphenyl)methyl]-3-oxo-3H,4H-pyrido[2,3-b]pyrazin-2-yl}-N-[2-(thiophen-2-yl)ethyl]piperidine-3-carboxamide
F677-0594 Screening compound: 1-{4-[(4-methylphenyl)methyl]-3-oxo-3H,4H-pyrido[2,3-b]pyrazin-2-yl}-N-[2-(thiophen-2-yl)ethyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F677-0594
1-{4-[(4-methylphenyl)methyl]-3-oxo-3H,4H-pyrido[2,3-b]pyrazin-2-yl}-N-[2-(thiophen-2-yl)ethyl]piperidine-3-carboxamide

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

F677-0594

Molecular Formula

C27H29N5O2S (C27 H29 N5 O2 S)

Compound Name

1-{4-[(4-methylphenyl)methyl]-3-oxo-3H,4H-pyrido[2,3-b]pyrazin-2-yl}-N-[2-(thiophen-2-yl)ethyl]piperidine-3-carboxamide

IUPAC name

1-{4-[(4-methylphenyl)methyl]-3-oxo-3H4H-pyrido[23-b]pyrazin-2-yl}-N-[2-(thiophen-2-yl)ethyl]piperidine-3-carboxamide

SMILES

Cc1ccc(CN(c(nccc2)c2N=C2N(CCC3)CC3C(NCCc3cccs3)=O)C2=O)cc1

InChI

InChI=1S/C27H29N5O2S/c1-19-8-10-20(11-9-19)17-32-24-23(7-2-13-28-24)30-25(27(32)34)31-15-3-5-21(18-31)26(33)29-14-12-22-6-4-16-35-22/h2,4,6-11,13,16,21H,3,5,12,14-15,17-18H2,1H3,(H,29,33)/t21-/m0/s1

InChI Key

FJSUUCKLPNCVSY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14962422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.594

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-3.70

Polar Surface Area

61.757

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

F677-0594 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with F677-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F677-0594?
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What is the minimum amount of F677-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F677-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F677-0594
  • 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 F677-0594 available by request