D316-0122 Screening compound: 3-acetyl-2-allyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butyrate

D316-0122 Screening compound: 3-acetyl-2-allyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butyrate
D316-0122 Screening compound: 3-acetyl-2-allyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butyrate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0122
3-acetyl-2-allyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butyrate

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

D316-0122

Molecular Formula

C17H19NO5S (C17 H19 NO5 S)

Compound Name

3-acetyl-2-allyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butyrate

IUPAC name

3-acetyl-11-dioxo-2-(prop-2-en-1-yl)-2H-1lambda62-benzothiazin-4-yl butanoate

SMILES

CCCC(OC(c1c2cccc1)=C(C(C)=O)N(CC=C)S2(=O)=O)=O

InChI

InChI=1S/C17H19NO5S/c1-4-8-15(20)23-17-13-9-6-7-10-14(13)24(21,22)18(11-5-2)16(17)12(3)19/h5-7,9-10H,2,4,8,11H2,1,3H3

InChI Key

LZSKLZNVVUELFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.624

Distribution Coefficient, logD

2.624

Water Solubility, LogSw

-3.21

Polar Surface Area

66.121

Acid Dissociation Constant (pKa)

22.80

Base Dissociation Constant (pKb)

-9.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with D316-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0122?
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What is the minimum amount of D316-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0122
  • 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 D316-0122 available by request