E511-0074 Screening compound: methyl 2-{3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]propanamido}benzoate

E511-0074 Screening compound: methyl 2-{3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]propanamido}benzoate
E511-0074 Screening compound: methyl 2-{3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-0074
methyl 2-{3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]propanamido}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

E511-0074

Molecular Formula

C20H20N2O7S (C20 H20 N2 O7 S)

Compound Name

methyl 2-{3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]propanamido}benzoate

IUPAC name

methyl 2-{3-[(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]propanamido}benzoate

SMILES

Cc(cc(c(OC1)c2)NC1=O)c2S(CCC(Nc(cccc1)c1C(OC)=O)=O)(=O)=O

InChI

InChI=1S/C20H20N2O7S/c1-12-9-15-16(29-11-19(24)22-15)10-17(12)30(26,27)8-7-18(23)21-14-6-4-3-5-13(14)20(25)28-2/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,23)(H,22,24)

InChI Key

MYDNIIJKNRERND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14855844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.294

Distribution Coefficient, logD

1.165

Water Solubility, LogSw

-2.43

Polar Surface Area

105.899

Acid Dissociation Constant (pKa)

7.86

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E511-0074 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E511-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-0074?
Check Price and Availability of E511-0074, 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 E511-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-0074
  • 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 E511-0074 available by request