5682-0166 Screening compound: 9-(benzyloxy)-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl}-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one

5682-0166 Screening compound: 9-(benzyloxy)-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl}-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one
5682-0166 Screening compound: 9-(benzyloxy)-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl}-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5682-0166
9-(benzyloxy)-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl}-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-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

5682-0166

Molecular Formula

C32H32ClN3O4 (C32 H32 ClN3 O4)

Compound Name

9-(benzyloxy)-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl}-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one

IUPAC name

9-(benzyloxy)-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl}-1H2H3H4H5H-chromeno[34-b]pyridin-5-one

SMILES

Cc(ccc(Cl)c1)c1N1CCN(CC(N(CCC2)C3=C2c(cc(cc2)OCc4ccccc4)c2OC3=O)=O)CC1

InChI

InChI=1S/C32H32ClN3O4/c1-22-9-10-24(33)18-28(22)35-16-14-34(15-17-35)20-30(37)36-13-5-8-26-27-19-25(39-21-23-6-3-2-4-7-23)11-12-29(27)40-32(38)31(26)36/h2-4,6-7,9-12,18-19H,5,8,13-17,20-21H2,1H3

InChI Key

RQMRHSBIUBZMMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.08

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.645

Distribution Coefficient, logD

5.642

Water Solubility, LogSw

-5.73

Polar Surface Area

50.371

Acid Dissociation Constant (pKa)

23.38

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

5682-0166 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5682-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5682-0166?
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What is the minimum amount of 5682-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5682-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5682-0166
  • 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 5682-0166 available by request