L933-0453 Screening compound: 1-(3-chlorophenyl)-3-{1-[3-oxo-4-(prop-2-en-1-yl)-3H,4H-pyrido[2,3-b]pyrazin-2-yl]piperidin-4-yl}urea

L933-0453 Screening compound: 1-(3-chlorophenyl)-3-{1-[3-oxo-4-(prop-2-en-1-yl)-3H,4H-pyrido[2,3-b]pyrazin-2-yl]piperidin-4-yl}urea
L933-0453 Screening compound: 1-(3-chlorophenyl)-3-{1-[3-oxo-4-(prop-2-en-1-yl)-3H,4H-pyrido[2,3-b]pyrazin-2-yl]piperidin-4-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L933-0453
1-(3-chlorophenyl)-3-{1-[3-oxo-4-(prop-2-en-1-yl)-3H,4H-pyrido[2,3-b]pyrazin-2-yl]piperidin-4-yl}urea

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

L933-0453

Molecular Formula

C22H23ClN6O2 (C22 H23 ClN6 O2)

Compound Name

1-(3-chlorophenyl)-3-{1-[3-oxo-4-(prop-2-en-1-yl)-3H,4H-pyrido[2,3-b]pyrazin-2-yl]piperidin-4-yl}urea

IUPAC name

1-(3-chlorophenyl)-3-{1-[3-oxo-4-(prop-2-en-1-yl)-3H4H-pyrido[23-b]pyrazin-2-yl]piperidin-4-yl}urea

SMILES

C=CCN(c(nccc1)c1N=C1N(CC2)CCC2NC(Nc2cccc(Cl)c2)=O)C1=O

InChI

InChI=1S/C22H23ClN6O2/c1-2-11-29-19-18(7-4-10-24-19)27-20(21(29)30)28-12-8-16(9-13-28)25-22(31)26-17-6-3-5-15(23)14-17/h2-7,10,14,16H,1,8-9,11-13H2,(H2,25,26,31)

InChI Key

BBMSTVUWSKJYCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27488255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.128

Distribution Coefficient, logD

3.128

Water Solubility, LogSw

-3.52

Polar Surface Area

69.959

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L933-0453 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L933-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L933-0453?
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What is the minimum amount of L933-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L933-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L933-0453
  • 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 L933-0453 available by request