L807-0366 Screening compound: 6-chloro-1,1-dioxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

L807-0366 Screening compound: 6-chloro-1,1-dioxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide
L807-0366 Screening compound: 6-chloro-1,1-dioxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound L807-0366
6-chloro-1,1-dioxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

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

L807-0366

Molecular Formula

C16H8ClF3N2O2S (C16 H8 ClF3 N2 O2 S)

Compound Name

6-chloro-1,1-dioxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

IUPAC name

6-chloro-11-dioxo-4-[3-(trifluoromethyl)phenyl]-4H-1lambda64-benzothiazine-2-carbonitrile

SMILES

N#CC1=CN(c2cc(C(F)(F)F)ccc2)c(cc(cc2)Cl)c2S1(=O)=O

InChI

InChI=1S/C16H8ClF3N2O2S/c17-11-4-5-15-14(7-11)22(9-13(8-21)25(15,23)24)12-3-1-2-10(6-12)16(18,19)20/h1-7,9H

InChI Key

XOUUIQKZNBHYTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.77

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

3.486

Distribution Coefficient, logD

3.486

Water Solubility, LogSw

-4.04

Polar Surface Area

48.007

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

L807-0366 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with L807-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L807-0366?
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What is the minimum amount of L807-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L807-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L807-0366
  • 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 L807-0366 available by request