D316-0029 Screening compound: 3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(2,5-dioxo-1-pyrrolidinyl)acetate

D316-0029 Screening compound: 3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(2,5-dioxo-1-pyrrolidinyl)acetate
D316-0029 Screening compound: 3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(2,5-dioxo-1-pyrrolidinyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0029
3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(2,5-dioxo-1-pyrrolidinyl)acetate

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

D316-0029

Molecular Formula

C23H20N2O7S (C23 H20 N2 O7 S)

Compound Name

3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(2,5-dioxo-1-pyrrolidinyl)acetate

IUPAC name

3-acetyl-2-benzyl-11-dioxo-2H-1lambda62-benzothiazin-4-yl 2-(25-dioxopyrrolidin-1-yl)acetate

SMILES

CC(C(N(Cc1ccccc1)S(c1c2cccc1)(=O)=O)=C2OC(CN(C(CC1)=O)C1=O)=O)=O

InChI

InChI=1S/C23H20N2O7S/c1-15(26)22-23(32-21(29)14-24-19(27)11-12-20(24)28)17-9-5-6-10-18(17)33(30,31)25(22)13-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3

InChI Key

KFPLTEPAVVSHKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.49

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.128

Distribution Coefficient, logD

1.128

Water Solubility, LogSw

-2.31

Polar Surface Area

95.951

Acid Dissociation Constant (pKa)

19.84

Base Dissociation Constant (pKb)

-9.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D316-0029 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D316-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0029?
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What is the minimum amount of D316-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0029
  • 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 D316-0029 available by request