L810-0440 Screening compound: methyl 3-[6-fluoro-1,1-dioxo-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate

L810-0440 Screening compound: methyl 3-[6-fluoro-1,1-dioxo-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate
L810-0440 Screening compound: methyl 3-[6-fluoro-1,1-dioxo-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L810-0440
methyl 3-[6-fluoro-1,1-dioxo-2-(1-pyrrolidinylcarbonyl)-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

L810-0440

Molecular Formula

C21H19FN2O5S (C21 H19 FN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c1cccc(N(C=C2C(N3CCCC3)=O)c(cc(cc3)F)c3S2(=O)=O)c1)=O

InChI

InChI=1S/C21H19FN2O5S/c1-29-21(26)14-5-4-6-16(11-14)24-13-19(20(25)23-9-2-3-10-23)30(27,28)18-8-7-15(22)12-17(18)24/h4-8,11-13H,2-3,9-10H2,1H3

InChI Key

DJGUQVGEBMSHFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.46

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

2.499

Distribution Coefficient, logD

2.499

Water Solubility, LogSw

-2.83

Polar Surface Area

69.139

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

-3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with L810-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L810-0440?
Check Price and Availability of L810-0440, 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 L810-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L810-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L810-0440
  • 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 L810-0440 available by request