C664-0156 Screening compound: 8-methoxy-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one

C664-0156 Screening compound: 8-methoxy-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one
C664-0156 Screening compound: 8-methoxy-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C664-0156
8-methoxy-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-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

C664-0156

Molecular Formula

C19H22N4O3S (C19 H22 N4 O3 S)

Compound Name

8-methoxy-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

8-methoxy-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2-sulfanylidene-1H2H3H4H5H-pyrimido[54-b]indol-4-one

SMILES

COc(cc1)cc2c1[nH]c(C(N1CCCC(N3CCCC3)=O)=O)c2NC1=S

InChI

InChI=1S/C19H22N4O3S/c1-26-12-6-7-14-13(11-12)16-17(20-14)18(25)23(19(27)21-16)10-4-5-15(24)22-8-2-3-9-22/h6-7,11,20H,2-5,8-10H2,1H3,(H,21,27)

InChI Key

KSAAVWLALUHHIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.591

Distribution Coefficient, logD

1.591

Water Solubility, LogSw

-2.43

Polar Surface Area

59.557

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C664-0156 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C664-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C664-0156?
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What is the minimum amount of C664-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C664-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C664-0156
  • 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 C664-0156 available by request