M178-1818 Screening compound: methyl 4-(2-{[6-(ethanesulfonyl)-2H-1,4-benzoxazin-3-yl]sulfanyl}acetamido)benzoate

M178-1818 Screening compound: methyl 4-(2-{[6-(ethanesulfonyl)-2H-1,4-benzoxazin-3-yl]sulfanyl}acetamido)benzoate
M178-1818 Screening compound: methyl 4-(2-{[6-(ethanesulfonyl)-2H-1,4-benzoxazin-3-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M178-1818
methyl 4-(2-{[6-(ethanesulfonyl)-2H-1,4-benzoxazin-3-yl]sulfanyl}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

M178-1818

Molecular Formula

C20H20N2O6S2 (C20 H20 N2 O6 S2)

Compound Name

methyl 4-(2-{[6-(ethanesulfonyl)-2H-1,4-benzoxazin-3-yl]sulfanyl}acetamido)benzoate

IUPAC name

methyl 4-(2-{[6-(ethanesulfonyl)-2H-14-benzoxazin-3-yl]sulfanyl}acetamido)benzoate

SMILES

CCS(c(cc1)cc2c1OCC(SCC(Nc(cc1)ccc1C(OC)=O)=O)=N2)(=O)=O

InChI

InChI=1S/C20H20N2O6S2/c1-3-30(25,26)15-8-9-17-16(10-15)22-19(11-28-17)29-12-18(23)21-14-6-4-13(5-7-14)20(24)27-2/h4-10H,3,11-12H2,1-2H3,(H,21,23)

InChI Key

IIPKIVAXLKVYRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.569

Distribution Coefficient, logD

2.568

Water Solubility, LogSw

-3.08

Polar Surface Area

91.027

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with M178-1818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M178-1818?
Check Price and Availability of M178-1818, 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 M178-1818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M178-1818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M178-1818
  • 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 M178-1818 available by request