L807-0616 Screening compound: 4-[4-(benzyloxy)phenyl]-8-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

L807-0616 Screening compound: 4-[4-(benzyloxy)phenyl]-8-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide
L807-0616 Screening compound: 4-[4-(benzyloxy)phenyl]-8-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound L807-0616
4-[4-(benzyloxy)phenyl]-8-fluoro-1,1-dioxo-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

L807-0616

Molecular Formula

C22H15FN2O3S (C22 H15 FN2 O3 S)

Compound Name

4-[4-(benzyloxy)phenyl]-8-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

IUPAC name

4-[4-(benzyloxy)phenyl]-8-fluoro-11-dioxo-4H-1lambda64-benzothiazine-2-carbonitrile

SMILES

N#CC1=CN(c(cc2)ccc2OCc2ccccc2)c2cccc(F)c2S1(=O)=O

InChI

InChI=1S/C22H15FN2O3S/c23-20-7-4-8-21-22(20)29(26,27)19(13-24)14-25(21)17-9-11-18(12-10-17)28-15-16-5-2-1-3-6-16/h1-12,14H,15H2

InChI Key

COWHHUFYYFLMID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.449

Distribution Coefficient, logD

3.449

Water Solubility, LogSw

-3.77

Polar Surface Area

55.234

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

L807-0616 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 L807-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L807-0616?
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What is the minimum amount of L807-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L807-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L807-0616
  • 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 L807-0616 available by request