C200-1395 Screening compound: 9,13-dimethyl-4-nitro-10-[2-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

C200-1395 Screening compound: 9,13-dimethyl-4-nitro-10-[2-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
C200-1395 Screening compound: 9,13-dimethyl-4-nitro-10-[2-(trifluoromethyl)phenyl]-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 C200-1395
9,13-dimethyl-4-nitro-10-[2-(trifluoromethyl)phenyl]-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

C200-1395

Molecular Formula

C19H16F3N3O3S (C19 H16 F3 N3 O3 S)

Compound Name

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

IUPAC name

913-dimethyl-4-nitro-10-[2-(trifluoromethyl)phenyl]-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CC(C1NC(N2c3c(C(F)(F)F)cccc3)=S)C2(C)Oc(cc2)c1cc2[N+]([O-])=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.925

Distribution Coefficient, logD

4.925

Water Solubility, LogSw

-4.74

Polar Surface Area

53.593

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

-5.55

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

31.60

C200-1395 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 C200-1395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1395?
Check Price and Availability of C200-1395, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C200-1395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1395
  • 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 C200-1395 available by request