L807-0502 Screening compound: 4-(4-ethylphenyl)-6-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

L807-0502 Screening compound: 4-(4-ethylphenyl)-6-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide
L807-0502 Screening compound: 4-(4-ethylphenyl)-6-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound L807-0502
4-(4-ethylphenyl)-6-methyl-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

L807-0502

Molecular Formula

C18H16N2O2S (C18 H16 N2 O2 S)

Compound Name

4-(4-ethylphenyl)-6-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

IUPAC name

4-(4-ethylphenyl)-6-methyl-11-dioxo-4H-1lambda64-benzothiazine-2-carbonitrile

SMILES

CCc(cc1)ccc1N(C=C1C#N)c(cc(C)cc2)c2S1(=O)=O

InChI

InChI=1S/C18H16N2O2S/c1-3-14-5-7-15(8-6-14)20-12-16(11-19)23(21,22)18-9-4-13(2)10-17(18)20/h4-10,12H,3H2,1-2H3

InChI Key

PNZQHBSHSNBISK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.4

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

3.420

Distribution Coefficient, logD

3.420

Water Solubility, LogSw

-3.77

Polar Surface Area

48.007

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

L807-0502 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 L807-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L807-0502?
Check Price and Availability of L807-0502, 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 L807-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L807-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L807-0502
  • 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 L807-0502 available by request