C675-0158 Screening compound: 8-methoxy-3-{5-oxo-5-[4-(pyridin-2-yl)piperazin-1-yl]pentyl}-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one

C675-0158 Screening compound: 8-methoxy-3-{5-oxo-5-[4-(pyridin-2-yl)piperazin-1-yl]pentyl}-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one
C675-0158 Screening compound: 8-methoxy-3-{5-oxo-5-[4-(pyridin-2-yl)piperazin-1-yl]pentyl}-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C675-0158
8-methoxy-3-{5-oxo-5-[4-(pyridin-2-yl)piperazin-1-yl]pentyl}-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

C675-0158

Molecular Formula

C25H28N6O3S (C25 H28 N6 O3 S)

Compound Name

8-methoxy-3-{5-oxo-5-[4-(pyridin-2-yl)piperazin-1-yl]pentyl}-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

8-methoxy-3-{5-oxo-5-[4-(pyridin-2-yl)piperazin-1-yl]pentyl}-2-sulfanylidene-1H2H3H4H5H-pyrimido[54-b]indol-4-one

SMILES

COc(cc1)cc2c1[nH]c(C(N1CCCCC(N(CC3)CCN3c3ncccc3)=O)=O)c2NC1=S

InChI

InChI=1S/C25H28N6O3S/c1-34-17-8-9-19-18(16-17)22-23(27-19)24(33)31(25(35)28-22)11-5-3-7-21(32)30-14-12-29(13-15-30)20-6-2-4-10-26-20/h2,4,6,8-10,16,27H,3,5,7,11-15H2,1H3,(H,28,35)

InChI Key

FSCAFNWEQNCYNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06402390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.6

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

2.627

Distribution Coefficient, logD

2.618

Water Solubility, LogSw

-3.16

Polar Surface Area

70.962

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C675-0158 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C675-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C675-0158?
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What is the minimum amount of C675-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C675-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C675-0158
  • 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 C675-0158 available by request