C285-0081 Screening compound: 4-{2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl}-9-propoxy-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one

C285-0081 Screening compound: 4-{2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl}-9-propoxy-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one
C285-0081 Screening compound: 4-{2-[4-(4-nitrophenyl)piperazin-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 C285-0081
4-{2-[4-(4-nitrophenyl)piperazin-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

C285-0081

Molecular Formula

C27H30N4O6 (C27 H30 N4 O6)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cc1)cc(C(CCC2)=C3N2C(CN(CC2)CCN2c(cc2)ccc2[N+]([O-])=O)=O)c1OC3=O

InChI

InChI=1S/C27H30N4O6/c1-2-16-36-21-9-10-24-23(17-21)22-4-3-11-30(26(22)27(33)37-24)25(32)18-28-12-14-29(15-13-28)19-5-7-20(8-6-19)31(34)35/h5-10,17H,2-4,11-16,18H2,1H3

InChI Key

BXOCOQRWTJDWBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.955

Distribution Coefficient, logD

3.953

Water Solubility, LogSw

-3.99

Polar Surface Area

84.243

Acid Dissociation Constant (pKa)

23.38

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

C285-0081 in Drug Discovery

Included in Screening Libraries

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

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 C285-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C285-0081?
Check Price and Availability of C285-0081, 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 C285-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C285-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C285-0081
  • 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 C285-0081 available by request