C200-1381 Screening compound: 10-(3-chloro-4-fluorophenyl)-6-methoxy-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

C200-1381 Screening compound: 10-(3-chloro-4-fluorophenyl)-6-methoxy-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
C200-1381 Screening compound: 10-(3-chloro-4-fluorophenyl)-6-methoxy-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 C200-1381
10-(3-chloro-4-fluorophenyl)-6-methoxy-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

C200-1381

Molecular Formula

C19H18ClFN2O2S (C19 H18 ClFN2 O2 S)

Compound Name

10-(3-chloro-4-fluorophenyl)-6-methoxy-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-chloro-4-fluorophenyl)-6-methoxy-913-dimethyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CC(C1NC(N2c(cc3)cc(Cl)c3F)=S)C2(C)Oc2c1cccc2OC

InChI

InChI=1S/C19H18ClFN2O2S/c1-10-16-12-5-4-6-15(24-3)17(12)25-19(10,2)23(18(26)22-16)11-7-8-14(21)13(20)9-11/h4-10,16H,1-3H3,(H,22,26)

InChI Key

MFZFVSWQACCAQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.537

Distribution Coefficient, logD

4.537

Water Solubility, LogSw

-4.83

Polar Surface Area

27.827

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with C200-1381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1381?
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What is the minimum amount of C200-1381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1381
  • 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 C200-1381 available by request