L807-0081 Screening compound: 4-(3-chloro-4-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

L807-0081 Screening compound: 4-(3-chloro-4-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide
L807-0081 Screening compound: 4-(3-chloro-4-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound L807-0081
4-(3-chloro-4-methylphenyl)-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

L807-0081

Molecular Formula

C16H11ClN2O2S (C16 H11 ClN2 O2 S)

Compound Name

4-(3-chloro-4-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

IUPAC name

4-(3-chloro-4-methylphenyl)-11-dioxo-4H-1lambda64-benzothiazine-2-carbonitrile

SMILES

Cc(ccc(N(C=C1C#N)c(cccc2)c2S1(=O)=O)c1)c1Cl

InChI

InChI=1S/C16H11ClN2O2S/c1-11-6-7-12(8-14(11)17)19-10-13(9-18)22(20,21)16-5-3-2-4-15(16)19/h2-8,10H,1H3

InChI Key

ATEPPGDEJWRTIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16638658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.143

Distribution Coefficient, logD

3.143

Water Solubility, LogSw

-3.44

Polar Surface Area

48.007

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

L807-0081 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 L807-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L807-0081?
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What is the minimum amount of L807-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L807-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L807-0081
  • 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 L807-0081 available by request