T475-0952 Screening compound: 2-(4-cyclohexylpiperazine-1-carbonyl)-4-(2-methylpropyl)-3H,4H-pyrido[2,3-b]pyrazin-3-one

T475-0952 Screening compound: 2-(4-cyclohexylpiperazine-1-carbonyl)-4-(2-methylpropyl)-3H,4H-pyrido[2,3-b]pyrazin-3-one
T475-0952 Screening compound: 2-(4-cyclohexylpiperazine-1-carbonyl)-4-(2-methylpropyl)-3H,4H-pyrido[2,3-b]pyrazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T475-0952
2-(4-cyclohexylpiperazine-1-carbonyl)-4-(2-methylpropyl)-3H,4H-pyrido[2,3-b]pyrazin-3-one

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

T475-0952

Molecular Formula

C22H31N5O2 (C22 H31 N5 O2)

Compound Name

2-(4-cyclohexylpiperazine-1-carbonyl)-4-(2-methylpropyl)-3H,4H-pyrido[2,3-b]pyrazin-3-one

IUPAC name

2-(4-cyclohexylpiperazine-1-carbonyl)-4-(2-methylpropyl)-3H4H-pyrido[23-b]pyrazin-3-one

SMILES

CC(C)CN(c1ncccc1N=C1C(N(CC2)CCN2C2CCCCC2)=O)C1=O

InChI

InChI=1S/C22H31N5O2/c1-16(2)15-27-20-18(9-6-10-23-20)24-19(22(27)29)21(28)26-13-11-25(12-14-26)17-7-4-3-5-8-17/h6,9-10,16-17H,3-5,7-8,11-15H2,1-2H3

InChI Key

BYUBFDLRSBNBIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27621509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.650

Distribution Coefficient, logD

2.594

Water Solubility, LogSw

-2.84

Polar Surface Area

53.794

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

T475-0952 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with T475-0952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T475-0952?
Check Price and Availability of T475-0952, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T475-0952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T475-0952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T475-0952
  • 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 T475-0952 available by request