C200-1227 Screening compound: (4-chlorophenyl)(9-methyl-10-phenyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-12-yl)methanone

C200-1227 Screening compound: (4-chlorophenyl)(9-methyl-10-phenyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-12-yl)methanone
C200-1227 Screening compound: (4-chlorophenyl)(9-methyl-10-phenyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-12-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1227
(4-chlorophenyl)(9-methyl-10-phenyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-12-yl)methanone

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

C200-1227

Molecular Formula

C24H19ClN2O2S (C24 H19 ClN2 O2 S)

Compound Name

(4-chlorophenyl)(9-methyl-10-phenyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-12-yl)methanone

IUPAC name

12-(4-chlorobenzoyl)-9-methyl-10-phenyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CC(CC1N2C(c(cc3)ccc3Cl)=O)(N(c3ccccc3)C2=S)Oc2c1cccc2

InChI

InChI=1S/C24H19ClN2O2S/c1-24-15-20(19-9-5-6-10-21(19)29-24)26(22(28)16-11-13-17(25)14-12-16)23(30)27(24)18-7-3-2-4-8-18/h2-14,20H,15H2,1H3

InChI Key

CHUBMIAQKDONCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.013

Distribution Coefficient, logD

5.013

Water Solubility, LogSw

-5.32

Polar Surface Area

22.884

Acid Dissociation Constant (pKa)

26.75

Base Dissociation Constant (pKb)

-6.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with C200-1227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1227?
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What is the minimum amount of C200-1227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1227
  • 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 C200-1227 available by request