C659-0088 Screening compound: N-(3-ethoxypropyl)-6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}hexanamide

C659-0088 Screening compound: N-(3-ethoxypropyl)-6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}hexanamide
C659-0088 Screening compound: N-(3-ethoxypropyl)-6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C659-0088
N-(3-ethoxypropyl)-6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}hexanamide

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

C659-0088

Molecular Formula

C22H30N4O4S (C22 H30 N4 O4 S)

Compound Name

N-(3-ethoxypropyl)-6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}hexanamide

IUPAC name

N-(3-ethoxypropyl)-6-{8-methoxy-4-oxo-2-sulfanylidene-1H2H3H4H5H-pyrimido[54-b]indol-3-yl}hexanamide

SMILES

CCOCCCNC(CCCCCN(C(c([nH]c(cc1)c2cc1OC)c2N1)=O)C1=S)=O

InChI

InChI=1S/C22H30N4O4S/c1-3-30-13-7-11-23-18(27)8-5-4-6-12-26-21(28)20-19(25-22(26)31)16-14-15(29-2)9-10-17(16)24-20/h9-10,14,24H,3-8,11-13H2,1-2H3,(H,23,27)(H,25,31)

InChI Key

QZCLCLZGUNXKRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14779831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.952

Distribution Coefficient, logD

1.951

Water Solubility, LogSw

-2.78

Polar Surface Area

75.360

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C659-0088 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C659-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C659-0088?
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What is the minimum amount of C659-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C659-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C659-0088
  • 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 C659-0088 available by request