J082-0693 Screening compound: 2-{4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}-3-propoxyquinoxaline

J082-0693 Screening compound: 2-{4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}-3-propoxyquinoxaline
J082-0693 Screening compound: 2-{4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}-3-propoxyquinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound J082-0693
2-{4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}-3-propoxyquinoxaline

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

J082-0693

Molecular Formula

C28H35N5O3 (C28 H35 N5 O3)

Compound Name

2-{4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}-3-propoxyquinoxaline

IUPAC name

2-{4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}-3-propoxyquinoxaline

SMILES

CCCOc1nc2ccccc2nc1N(CC1)CCC1C(N(CC1)CCN1c(cccc1)c1OC)=O

InChI

InChI=1S/C28H35N5O3/c1-3-20-36-27-26(29-22-8-4-5-9-23(22)30-27)32-14-12-21(13-15-32)28(34)33-18-16-31(17-19-33)24-10-6-7-11-25(24)35-2/h4-11,21H,3,12-20H2,1-2H3

InChI Key

XBQWSKCRWVCIQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.142

Distribution Coefficient, logD

5.141

Water Solubility, LogSw

-5.02

Polar Surface Area

55.970

Acid Dissociation Constant (pKa)

22.59

Base Dissociation Constant (pKb)

8.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

J082-0693 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J082-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J082-0693?
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What is the minimum amount of J082-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J082-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J082-0693
  • 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 J082-0693 available by request