C285-0096 Screening compound: 4-[2-(4-benzylpiperidin-1-yl)acetyl]-9-propoxy-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one

C285-0096 Screening compound: 4-[2-(4-benzylpiperidin-1-yl)acetyl]-9-propoxy-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one
C285-0096 Screening compound: 4-[2-(4-benzylpiperidin-1-yl)acetyl]-9-propoxy-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C285-0096
4-[2-(4-benzylpiperidin-1-yl)acetyl]-9-propoxy-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

C285-0096

Molecular Formula

C29H34N2O4 (C29 H34 N2 O4)

Compound Name

4-[2-(4-benzylpiperidin-1-yl)acetyl]-9-propoxy-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one

IUPAC name

4-[2-(4-benzylpiperidin-1-yl)acetyl]-9-propoxy-1H2H3H4H5H-chromeno[34-b]pyridin-5-one

SMILES

CCCOc(cc1)cc(C(CCC2)=C3N2C(CN2CCC(Cc4ccccc4)CC2)=O)c1OC3=O

InChI

InChI=1S/C29H34N2O4/c1-2-17-34-23-10-11-26-25(19-23)24-9-6-14-31(28(24)29(33)35-26)27(32)20-30-15-12-22(13-16-30)18-21-7-4-3-5-8-21/h3-5,7-8,10-11,19,22H,2,6,9,12-18,20H2,1H3

InChI Key

CRVIRQRBKMBBLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.315

Distribution Coefficient, logD

5.292

Water Solubility, LogSw

-5.37

Polar Surface Area

47.330

Acid Dissociation Constant (pKa)

23.68

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

C285-0096 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C285-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C285-0096?
Check Price and Availability of C285-0096, 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 C285-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C285-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C285-0096
  • 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 C285-0096 available by request