D316-0204 Screening compound: 2-ethyl-1,1-dioxo-3-[(2-pyrimidinylamino)carbonyl]-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-chlorobenzoate

D316-0204 Screening compound: 2-ethyl-1,1-dioxo-3-[(2-pyrimidinylamino)carbonyl]-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-chlorobenzoate
D316-0204 Screening compound: 2-ethyl-1,1-dioxo-3-[(2-pyrimidinylamino)carbonyl]-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0204
2-ethyl-1,1-dioxo-3-[(2-pyrimidinylamino)carbonyl]-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-chlorobenzoate

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

D316-0204

Molecular Formula

C22H17ClN4O5S (C22 H17 ClN4 O5 S)

Compound Name

2-ethyl-1,1-dioxo-3-[(2-pyrimidinylamino)carbonyl]-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 4-chlorobenzoate

IUPAC name

2-ethyl-11-dioxo-3-[(pyrimidin-2-yl)carbamoyl]-2H-1lambda62-benzothiazin-4-yl 4-chlorobenzoate

SMILES

CCN(C(C(Nc1ncccn1)=O)=C(c1c2cccc1)OC(c(cc1)ccc1Cl)=O)S2(=O)=O

InChI

InChI=1S/C22H17ClN4O5S/c1-2-27-18(20(28)26-22-24-12-5-13-25-22)19(16-6-3-4-7-17(16)33(27,30)31)32-21(29)14-8-10-15(23)11-9-14/h3-13H,2H2,1H3,(H,24,25,26,28)

InChI Key

KPURRYLQPWZBQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.92

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.991

Distribution Coefficient, logD

0.496

Water Solubility, LogSw

-3.91

Polar Surface Area

96.025

Acid Dissociation Constant (pKa)

4.91

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D316-0204 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D316-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0204?
Check Price and Availability of D316-0204, 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 D316-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0204
  • 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 D316-0204 available by request