C674-0060 Screening compound: 4-({8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}methyl)-N-[(4-methylphenyl)methyl]benzamide

C674-0060 Screening compound: 4-({8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}methyl)-N-[(4-methylphenyl)methyl]benzamide
C674-0060 Screening compound: 4-({8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}methyl)-N-[(4-methylphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C674-0060
4-({8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}methyl)-N-[(4-methylphenyl)methyl]benzamide

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

C674-0060

Molecular Formula

C27H24N4O3S (C27 H24 N4 O3 S)

Compound Name

4-({8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}methyl)-N-[(4-methylphenyl)methyl]benzamide

IUPAC name

4-({8-methoxy-4-oxo-2-sulfanylidene-1H2H3H4H5H-pyrimido[54-b]indol-3-yl}methyl)-N-[(4-methylphenyl)methyl]benzamide

SMILES

Cc1ccc(CNC(c2ccc(CN(C(c([nH]c(cc3)c4cc3OC)c4N3)=O)C3=S)cc2)=O)cc1

InChI

InChI=1S/C27H24N4O3S/c1-16-3-5-17(6-4-16)14-28-25(32)19-9-7-18(8-10-19)15-31-26(33)24-23(30-27(31)35)21-13-20(34-2)11-12-22(21)29-24/h3-13,29H,14-15H2,1-2H3,(H,28,32)(H,30,35)

InChI Key

POMTZADNJCVFDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.135

Distribution Coefficient, logD

4.135

Water Solubility, LogSw

-4.31

Polar Surface Area

67.233

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

C674-0060 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C674-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C674-0060?
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What is the minimum amount of C674-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C674-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C674-0060
  • 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 C674-0060 available by request