C659-0136 Screening compound: 8-methoxy-3-[6-oxo-6-(piperidin-1-yl)hexyl]-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one

C659-0136 Screening compound: 8-methoxy-3-[6-oxo-6-(piperidin-1-yl)hexyl]-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one
C659-0136 Screening compound: 8-methoxy-3-[6-oxo-6-(piperidin-1-yl)hexyl]-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C659-0136
8-methoxy-3-[6-oxo-6-(piperidin-1-yl)hexyl]-2-sulfanylidene-1H,2H,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

C659-0136

Molecular Formula

C22H28N4O3S (C22 H28 N4 O3 S)

Compound Name

8-methoxy-3-[6-oxo-6-(piperidin-1-yl)hexyl]-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

8-methoxy-3-[6-oxo-6-(piperidin-1-yl)hexyl]-2-sulfanylidene-1H2H3H4H5H-pyrimido[54-b]indol-4-one

SMILES

COc(cc1)cc2c1[nH]c(C(N1CCCCCC(N3CCCCC3)=O)=O)c2NC1=S

InChI

InChI=1S/C22H28N4O3S/c1-29-15-9-10-17-16(14-15)19-20(23-17)21(28)26(22(30)24-19)13-7-2-4-8-18(27)25-11-5-3-6-12-25/h9-10,14,23H,2-8,11-13H2,1H3,(H,24,30)

InChI Key

DCMVUNPUFMQSSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14779839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.820

Distribution Coefficient, logD

2.820

Water Solubility, LogSw

-3.41

Polar Surface Area

59.191

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C659-0136 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C659-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C659-0136?
Check Price and Availability of C659-0136, 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 C659-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C659-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C659-0136
  • 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 C659-0136 available by request