L807-0042 Screening compound: ethyl 4-[2-cyano-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate

L807-0042 Screening compound: ethyl 4-[2-cyano-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate
L807-0042 Screening compound: ethyl 4-[2-cyano-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L807-0042
ethyl 4-[2-cyano-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate

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

L807-0042

Molecular Formula

C18H14N2O4S (C18 H14 N2 O4 S)

Compound Name

ethyl 4-[2-cyano-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate

IUPAC name

ethyl 4-(2-cyano-11-dioxo-4H-1lambda64-benzothiazin-4-yl)benzoate

SMILES

CCOC(c(cc1)ccc1N(C=C1C#N)c(cccc2)c2S1(=O)=O)=O

InChI

InChI=1S/C18H14N2O4S/c1-2-24-18(21)13-7-9-14(10-8-13)20-12-15(11-19)25(22,23)17-6-4-3-5-16(17)20/h3-10,12H,2H2,1H3

InChI Key

FQVPFVHPRRTERB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.474

Distribution Coefficient, logD

2.474

Water Solubility, LogSw

-2.60

Polar Surface Area

68.760

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

-4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with L807-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L807-0042?
Check Price and Availability of L807-0042, 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 L807-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L807-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L807-0042
  • 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 L807-0042 available by request