8009-8059 Screening compound: 3H,4H,5H-pyrimido[5,4-b]indol-4-one

8009-8059 Screening compound: 3H,4H,5H-pyrimido[5,4-b]indol-4-one
8009-8059 Screening compound: 3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8059
3H,4H,5H-pyrimido[5,4-b]indol-4-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

8009-8059

Molecular Formula

C10H7N3O (C10 H7 N3 O)

Compound Name

3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

3H4H5H-pyrimido[54-b]indol-4-one

SMILES

O=C1NC=Nc2c1[nH]c1c2cccc1

InChI

InChI=1S/C10H7N3O/c14-10-9-8(11-5-12-10)6-3-1-2-4-7(6)13-9/h1-5,13H,(H,11,12,14)

InChI Key

SQKANMIJNAMTAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00141061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

185.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.505

Distribution Coefficient, logD

0.504

Water Solubility, LogSw

-1.98

Polar Surface Area

43.893

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8009-8059 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8009-8059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8059?
Check Price and Availability of 8009-8059, 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 8009-8059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8059
  • 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 8009-8059 available by request