J014-0027 Screening compound: N-(2,5-dimethylphenyl)-4-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

J014-0027 Screening compound: N-(2,5-dimethylphenyl)-4-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
J014-0027 Screening compound: N-(2,5-dimethylphenyl)-4-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-0027
N-(2,5-dimethylphenyl)-4-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

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

J014-0027

Molecular Formula

C18H20N2O4S (C18 H20 N2 O4 S)

Compound Name

N-(2,5-dimethylphenyl)-4-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

IUPAC name

N-(25-dimethylphenyl)-4-methanesulfonyl-34-dihydro-2H-14-benzoxazine-2-carboxamide

SMILES

Cc1cc(NC(C(C2)Oc(cccc3)c3N2S(C)(=O)=O)=O)c(C)cc1

InChI

InChI=1S/C18H20N2O4S/c1-12-8-9-13(2)14(10-12)19-18(21)17-11-20(25(3,22)23)15-6-4-5-7-16(15)24-17/h4-10,17H,11H2,1-3H3,(H,19,21)/t17-/m1/s1

InChI Key

IUTRBCWZBQIVEG-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD13982715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.335

Distribution Coefficient, logD

2.335

Water Solubility, LogSw

-2.92

Polar Surface Area

60.549

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with J014-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-0027?
Check Price and Availability of J014-0027, 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 J014-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-0027
  • 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 J014-0027 available by request