C664-0132 Screening compound: N-cyclooctyl-4-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}butanamide

C664-0132 Screening compound: N-cyclooctyl-4-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}butanamide
C664-0132 Screening compound: N-cyclooctyl-4-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C664-0132
N-cyclooctyl-4-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}butanamide

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

C664-0132

Molecular Formula

C23H30N4O3S (C23 H30 N4 O3 S)

Compound Name

N-cyclooctyl-4-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}butanamide

IUPAC name

N-cyclooctyl-4-{8-methoxy-4-oxo-2-sulfanylidene-1H2H3H4H5H-pyrimido[54-b]indol-3-yl}butanamide

SMILES

COc(cc1)cc2c1[nH]c(C(N1CCCC(NC3CCCCCCC3)=O)=O)c2NC1=S

InChI

InChI=1S/C23H30N4O3S/c1-30-16-11-12-18-17(14-16)20-21(25-18)22(29)27(23(31)26-20)13-7-10-19(28)24-15-8-5-3-2-4-6-9-15/h11-12,14-15,25H,2-10,13H2,1H3,(H,24,28)(H,26,31)

InChI Key

XEEXJUHVTSDUKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

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

3.440

Distribution Coefficient, logD

3.440

Water Solubility, LogSw

-3.93

Polar Surface Area

67.326

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

C664-0132 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C664-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C664-0132?
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What is the minimum amount of C664-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C664-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C664-0132
  • 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 C664-0132 available by request