L810-0009 Screening compound: 4-(4-isopropylphenyl)-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

L810-0009 Screening compound: 4-(4-isopropylphenyl)-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
L810-0009 Screening compound: 4-(4-isopropylphenyl)-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L810-0009
4-(4-isopropylphenyl)-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

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

L810-0009

Molecular Formula

C22H24N2O3S (C22 H24 N2 O3 S)

Compound Name

4-(4-isopropylphenyl)-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

IUPAC name

4-[4-(propan-2-yl)phenyl]-2-(pyrrolidine-1-carbonyl)-4H-1lambda64-benzothiazine-11-dione

SMILES

CC(C)c(cc1)ccc1N(C=C1C(N2CCCC2)=O)c(cccc2)c2S1(=O)=O

InChI

InChI=1S/C22H24N2O3S/c1-16(2)17-9-11-18(12-10-17)24-15-21(22(25)23-13-5-6-14-23)28(26,27)20-8-4-3-7-19(20)24/h3-4,7-12,15-16H,5-6,13-14H2,1-2H3

InChI Key

NHQOFPUSBJNHEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16640318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.469

Distribution Coefficient, logD

3.469

Water Solubility, LogSw

-3.77

Polar Surface Area

47.965

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L810-0009 in Drug Discovery

Included in Screening Libraries

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

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with L810-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L810-0009?
Check Price and Availability of L810-0009, 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 L810-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L810-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L810-0009
  • 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 L810-0009 available by request