C200-1752 Screening compound: 3-(4-chlorophenyl)-8-methoxy-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one

C200-1752 Screening compound: 3-(4-chlorophenyl)-8-methoxy-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one
C200-1752 Screening compound: 3-(4-chlorophenyl)-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 C200-1752
3-(4-chlorophenyl)-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

C200-1752

Molecular Formula

C17H12ClN3O2S (C17 H12 ClN3 O2 S)

Compound Name

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

IUPAC name

3-(4-chlorophenyl)-8-methoxy-2-sulfanylidene-1H2H3H4H5H-pyrimido[54-b]indol-4-one

SMILES

COc(cc1)cc2c1[nH]c(C(N1c(cc3)ccc3Cl)=O)c2NC1=S

InChI

InChI=1S/C17H12ClN3O2S/c1-23-11-6-7-13-12(8-11)14-15(19-13)16(22)21(17(24)20-14)10-4-2-9(18)3-5-10/h2-8,19H,1H3,(H,20,24)

InChI Key

AKDKWUVVLJRKKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.269

Distribution Coefficient, logD

3.268

Water Solubility, LogSw

-3.75

Polar Surface Area

42.208

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C200-1752 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 C200-1752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1752?
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What is the minimum amount of C200-1752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1752
  • 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 C200-1752 available by request