Y070-0836 Screening compound: butyl 4-[2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamido]benzoate

Y070-0836 Screening compound: butyl 4-[2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamido]benzoate
Y070-0836 Screening compound: butyl 4-[2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0836
butyl 4-[2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamido]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

Y070-0836

Molecular Formula

C21H22N2O4S (C21 H22 N2 O4 S)

Compound Name

butyl 4-[2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamido]benzoate

IUPAC name

butyl 4-[2-(3-oxo-34-dihydro-2H-14-benzothiazin-2-yl)acetamido]benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(CC1Sc(cccc2)c2NC1=O)=O)=O

InChI

InChI=1S/C21H22N2O4S/c1-2-3-12-27-21(26)14-8-10-15(11-9-14)22-19(24)13-18-20(25)23-16-6-4-5-7-17(16)28-18/h4-11,18H,2-3,12-13H2,1H3,(H,22,24)(H,23,25)/t18-/m0/s1

InChI Key

QCZRVEYJMFKDPG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03212272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.298

Distribution Coefficient, logD

4.297

Water Solubility, LogSw

-4.20

Polar Surface Area

69.042

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with Y070-0836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0836?
Check Price and Availability of Y070-0836, 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 Y070-0836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0836
  • 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 Y070-0836 available by request