D316-0325 Screening compound: 2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-bromobenzoate

D316-0325 Screening compound: 2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-bromobenzoate
D316-0325 Screening compound: 2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0325
2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-bromobenzoate

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

D316-0325

Molecular Formula

C19H18BrNO4S (C19 H18 BrNO4 S)

Compound Name

2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-bromobenzoate

IUPAC name

2-butyl-11-dioxo-2H-1lambda62-benzothiazin-4-yl 2-bromobenzoate

SMILES

CCCCN(C=C(c1c2cccc1)OC(c(cccc1)c1Br)=O)S2(=O)=O

InChI

InChI=1S/C19H18BrNO4S/c1-2-3-12-21-13-17(15-9-5-7-11-18(15)26(21,23)24)25-19(22)14-8-4-6-10-16(14)20/h4-11,13H,2-3,12H2,1H3

InChI Key

NJMJUQALRQZPEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.180

Distribution Coefficient, logD

4.180

Water Solubility, LogSw

-4.18

Polar Surface Area

51.481

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

-11.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D316-0325 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D316-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0325?
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What is the minimum amount of D316-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0325
  • 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 D316-0325 available by request