C661-0183 Screening compound: 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-8-methoxy-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one

C661-0183 Screening compound: 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-8-methoxy-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one
C661-0183 Screening compound: 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-8-methoxy-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C661-0183
3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-8-methoxy-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

C661-0183

Molecular Formula

C24H24ClN5O3S (C24 H24 ClN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc2c1[nH]c(C(N1CCC(N(CC3)CCN3c3cccc(Cl)c3)=O)=O)c2NC1=S

InChI

InChI=1S/C24H24ClN5O3S/c1-33-17-5-6-19-18(14-17)21-22(26-19)23(32)30(24(34)27-21)8-7-20(31)29-11-9-28(10-12-29)16-4-2-3-15(25)13-16/h2-6,13-14,26H,7-12H2,1H3,(H,27,34)

InChI Key

KMPRQNYXVHWTTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.022

Distribution Coefficient, logD

3.022

Water Solubility, LogSw

-3.60

Polar Surface Area

62.451

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C661-0183 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C661-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C661-0183?
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What is the minimum amount of C661-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C661-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C661-0183
  • 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 C661-0183 available by request