F796-0485 Screening compound: 2-{7,8-dimethoxy-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-[(3-methoxyphenyl)methyl]acetamide

F796-0485 Screening compound: 2-{7,8-dimethoxy-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-[(3-methoxyphenyl)methyl]acetamide
F796-0485 Screening compound: 2-{7,8-dimethoxy-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-[(3-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F796-0485
2-{7,8-dimethoxy-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-[(3-methoxyphenyl)methyl]acetamide

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

F796-0485

Molecular Formula

C22H22N4O5 (C22 H22 N4 O5)

Compound Name

2-{7,8-dimethoxy-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-[(3-methoxyphenyl)methyl]acetamide

IUPAC name

2-{78-dimethoxy-4-oxo-3H4H5H-pyrimido[54-b]indol-3-yl}-N-[(3-methoxyphenyl)methyl]acetamide

SMILES

COc1cccc(CNC(CN(C=Nc2c3[nH]c(cc4OC)c2cc4OC)C3=O)=O)c1

InChI

InChI=1S/C22H22N4O5/c1-29-14-6-4-5-13(7-14)10-23-19(27)11-26-12-24-20-15-8-17(30-2)18(31-3)9-16(15)25-21(20)22(26)28/h4-9,12,25H,10-11H2,1-3H3,(H,23,27)

InChI Key

WCGDAJLLYDEYSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.402

Distribution Coefficient, logD

1.402

Water Solubility, LogSw

-2.20

Polar Surface Area

81.573

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

F796-0485 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F796-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F796-0485?
Check Price and Availability of F796-0485, 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 F796-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F796-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F796-0485
  • 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 F796-0485 available by request