L807-0088 Screening compound: 4-(2-bromo-4-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

L807-0088 Screening compound: 4-(2-bromo-4-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide
L807-0088 Screening compound: 4-(2-bromo-4-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound L807-0088
4-(2-bromo-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

L807-0088

Molecular Formula

C16H11BrN2O2S (C16 H11 BrN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(Br)c1N(C=C1C#N)c(cccc2)c2S1(=O)=O

InChI

InChI=1S/C16H11BrN2O2S/c1-11-6-7-14(13(17)8-11)19-10-12(9-18)22(20,21)16-5-3-2-4-15(16)19/h2-8,10H,1H3

InChI Key

IJFUCBXQHYLMSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.25

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

2.974

Distribution Coefficient, logD

2.974

Water Solubility, LogSw

-3.40

Polar Surface Area

47.706

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with L807-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L807-0088?
Check Price and Availability of L807-0088, 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 L807-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L807-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L807-0088
  • 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 L807-0088 available by request