8019-8709 Screening compound: 3-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)phenyl]propanoic acid

8019-8709 Screening compound: 3-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)phenyl]propanoic acid
8019-8709 Screening compound: 3-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)phenyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8709
3-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)phenyl]propanoic acid

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

8019-8709

Molecular Formula

C18H18N2O6S (C18 H18 N2 O6 S)

Compound Name

3-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)phenyl]propanoic acid

IUPAC name

3-[4-(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazine-6-sulfonamido)phenyl]propanoic acid

SMILES

CC1Oc(ccc(S(Nc2ccc(CCC(O)=O)cc2)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C18H18N2O6S/c1-11-18(23)19-15-10-14(7-8-16(15)26-11)27(24,25)20-13-5-2-12(3-6-13)4-9-17(21)22/h2-3,5-8,10-11,20H,4,9H2,1H3,(H,19,23)(H,21,22)/t11-/m1/s1

InChI Key

DXWAOBZLNDDYFW-LLVKDONJSA-N

MDL Number (MFCD)

MFCD12033904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.951

Distribution Coefficient, logD

-0.850

Water Solubility, LogSw

-2.80

Polar Surface Area

101.880

Acid Dissociation Constant (pKa)

4.60

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8019-8709 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8019-8709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8709?
Check Price and Availability of 8019-8709, 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 8019-8709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8709
  • 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 8019-8709 available by request