L810-0689 Screening compound: methyl 3-[6-chloro-1,1-dioxo-2-(piperidinocarbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate

L810-0689 Screening compound: methyl 3-[6-chloro-1,1-dioxo-2-(piperidinocarbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate
L810-0689 Screening compound: methyl 3-[6-chloro-1,1-dioxo-2-(piperidinocarbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L810-0689
methyl 3-[6-chloro-1,1-dioxo-2-(piperidinocarbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate

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

L810-0689

Molecular Formula

C22H21ClN2O5S (C22 H21 ClN2 O5 S)

Compound Name

methyl 3-[6-chloro-1,1-dioxo-2-(piperidinocarbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate

IUPAC name

methyl 3-[6-chloro-11-dioxo-2-(piperidine-1-carbonyl)-4H-1lambda64-benzothiazin-4-yl]benzoate

SMILES

COC(c1cccc(N(C=C2C(N3CCCCC3)=O)c(cc(cc3)Cl)c3S2(=O)=O)c1)=O

InChI

InChI=1S/C22H21ClN2O5S/c1-30-22(27)15-6-5-7-17(12-15)25-14-20(21(26)24-10-3-2-4-11-24)31(28,29)19-9-8-16(23)13-18(19)25/h5-9,12-14H,2-4,10-11H2,1H3

InChI Key

TYJYZZLILHIZRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16636286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.260

Distribution Coefficient, logD

3.260

Water Solubility, LogSw

-3.66

Polar Surface Area

68.773

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

-3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with L810-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L810-0689?
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What is the minimum amount of L810-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L810-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L810-0689
  • 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 L810-0689 available by request