C676-0194 Screening compound: 8-methoxy-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one

C676-0194 Screening compound: 8-methoxy-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one
C676-0194 Screening compound: 8-methoxy-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C676-0194
8-methoxy-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-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

C676-0194

Molecular Formula

C24H25N5O4S (C24 H25 N5 O4 S)

Compound Name

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

IUPAC name

8-methoxy-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-1H2H3H4H5H-pyrimido[54-b]indol-4-one

SMILES

COc(cc1)ccc1N(CC1)CCN1C(CN(C(c([nH]c(cc1)c2cc1OC)c2N1)=O)C1=S)=O

InChI

InChI=1S/C24H25N5O4S/c1-32-16-5-3-15(4-6-16)27-9-11-28(12-10-27)20(30)14-29-23(31)22-21(26-24(29)34)18-13-17(33-2)7-8-19(18)25-22/h3-8,13,25H,9-12,14H2,1-2H3,(H,26,34)

InChI Key

XMZGZXDFOBNIGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.288

Distribution Coefficient, logD

2.288

Water Solubility, LogSw

-3.03

Polar Surface Area

70.016

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C676-0194 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C676-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C676-0194?
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What is the minimum amount of C676-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C676-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C676-0194
  • 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 C676-0194 available by request