K906-4067 Screening compound: ethyl 3-[2-(N-methyl6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)acetamido]benzoate

K906-4067 Screening compound: ethyl 3-[2-(N-methyl6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)acetamido]benzoate
K906-4067 Screening compound: ethyl 3-[2-(N-methyl6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-4067
ethyl 3-[2-(N-methyl6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)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

K906-4067

Molecular Formula

C20H20ClN3O7S (C20 H20 ClN3 O7 S)

Compound Name

ethyl 3-[2-(N-methyl6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)acetamido]benzoate

IUPAC name

ethyl 3-[2-(N-methyl6-chloro-3-oxo-34-dihydro-2H-14-benzoxazine-7-sulfonamido)acetamido]benzoate

SMILES

CCOC(c1cccc(NC(CN(C)S(c(cc(c(N2)c3)OCC2=O)c3Cl)(=O)=O)=O)c1)=O

InChI

InChI=1S/C20H20ClN3O7S/c1-3-30-20(27)12-5-4-6-13(7-12)22-18(25)10-24(2)32(28,29)17-9-16-15(8-14(17)21)23-19(26)11-31-16/h4-9H,3,10-11H2,1-2H3,(H,22,25)(H,23,26)

InChI Key

XDNQSHUNUIILRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.91

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.700

Distribution Coefficient, logD

2.642

Water Solubility, LogSw

-3.55

Polar Surface Area

109.976

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with K906-4067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-4067?
Check Price and Availability of K906-4067, 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 K906-4067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-4067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-4067
  • 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 K906-4067 available by request