C200-0253 Screening compound: 10-(3-chlorophenyl)-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

C200-0253 Screening compound: 10-(3-chlorophenyl)-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
C200-0253 Screening compound: 10-(3-chlorophenyl)-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-0253
10-(3-chlorophenyl)-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

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

C200-0253

Molecular Formula

C18H17ClN2OS (C18 H17 ClN2 OS)

Compound Name

10-(3-chlorophenyl)-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

IUPAC name

10-(3-chlorophenyl)-913-dimethyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CC(C1NC(N2c3cccc(Cl)c3)=S)C2(C)Oc2c1cccc2

InChI

InChI=1S/C18H17ClN2OS/c1-11-16-14-8-3-4-9-15(14)22-18(11,2)21(17(23)20-16)13-7-5-6-12(19)10-13/h3-11,16H,1-2H3,(H,20,23)

InChI Key

HRDLQYJWHKFHLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.650

Distribution Coefficient, logD

4.650

Water Solubility, LogSw

-4.86

Polar Surface Area

20.512

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

-5.25

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with C200-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-0253?
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What is the minimum amount of C200-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-0253
  • 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 C200-0253 available by request