C285-0122 Screening compound: 9-(benzyloxy)-4-{2-[4-(pyrimidin-2-yl)piperazin-1-yl]acetyl}-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one

C285-0122 Screening compound: 9-(benzyloxy)-4-{2-[4-(pyrimidin-2-yl)piperazin-1-yl]acetyl}-1H,2H,3H,4H,5H-chromeno[3,4-b]pyridin-5-one
C285-0122 Screening compound: 9-(benzyloxy)-4-{2-[4-(pyrimidin-2-yl)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 C285-0122
9-(benzyloxy)-4-{2-[4-(pyrimidin-2-yl)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

C285-0122

Molecular Formula

C29H29N5O4 (C29 H29 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(CC1)CCN1c1ncccn1)N(CCC1)C2=C1c(cc(cc1)OCc3ccccc3)c1OC2=O

InChI

InChI=1S/C29H29N5O4/c35-26(19-32-14-16-33(17-15-32)29-30-11-5-12-31-29)34-13-4-8-23-24-18-22(37-20-21-6-2-1-3-7-21)9-10-25(24)38-28(36)27(23)34/h1-3,5-7,9-12,18H,4,8,13-17,19-20H2

InChI Key

WCQZVNHCEARBPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05258334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.527

Distribution Coefficient, logD

3.525

Water Solubility, LogSw

-3.72

Polar Surface Area

69.034

Acid Dissociation Constant (pKa)

20.58

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

C285-0122 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Akt-Targeted Library (14764 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C285-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C285-0122?
Check Price and Availability of C285-0122, 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 C285-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C285-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C285-0122
  • 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 C285-0122 available by request