D316-0072 Screening compound: 3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-phenylacetate

D316-0072 Screening compound: 3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-phenylacetate
D316-0072 Screening compound: 3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0072
3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-phenylacetate

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

D316-0072

Molecular Formula

C22H23NO5S (C22 H23 NO5 S)

Compound Name

3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-phenylacetate

IUPAC name

3-acetyl-2-butyl-11-dioxo-2H-1lambda62-benzothiazin-4-yl 2-phenylacetate

SMILES

CCCCN(C(C(C)=O)=C(c1c2cccc1)OC(Cc1ccccc1)=O)S2(=O)=O

InChI

InChI=1S/C22H23NO5S/c1-3-4-14-23-21(16(2)24)22(18-12-8-9-13-19(18)29(23,26)27)28-20(25)15-17-10-6-5-7-11-17/h5-13H,3-4,14-15H2,1-2H3

InChI Key

NLZNPNSOJGHWCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.766

Distribution Coefficient, logD

3.766

Water Solubility, LogSw

-3.96

Polar Surface Area

65.849

Acid Dissociation Constant (pKa)

16.56

Base Dissociation Constant (pKb)

-8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D316-0072 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D316-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0072?
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What is the minimum amount of D316-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0072
  • 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 D316-0072 available by request