J014-0318 Screening compound: N-[4-(cyanomethyl)phenyl]-4-methanesulfonyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

J014-0318 Screening compound: N-[4-(cyanomethyl)phenyl]-4-methanesulfonyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
J014-0318 Screening compound: N-[4-(cyanomethyl)phenyl]-4-methanesulfonyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-0318
N-[4-(cyanomethyl)phenyl]-4-methanesulfonyl-6-methyl-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

J014-0318

Molecular Formula

C19H19N3O4S (C19 H19 N3 O4 S)

Compound Name

N-[4-(cyanomethyl)phenyl]-4-methanesulfonyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

IUPAC name

N-[4-(cyanomethyl)phenyl]-4-methanesulfonyl-6-methyl-34-dihydro-2H-14-benzoxazine-2-carboxamide

SMILES

Cc(cc1)cc(N(C2)S(C)(=O)=O)c1OC2C(Nc1ccc(CC#N)cc1)=O

InChI

InChI=1S/C19H19N3O4S/c1-13-3-8-17-16(11-13)22(27(2,24)25)12-18(26-17)19(23)21-15-6-4-14(5-7-15)9-10-20/h3-8,11,18H,9,12H2,1-2H3,(H,21,23)/t18-/m1/s1

InChI Key

KHYHRDICYSCKRU-GOSISDBHSA-N

MDL Number (MFCD)

MFCD13985375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.885

Distribution Coefficient, logD

1.885

Water Solubility, LogSw

-2.81

Polar Surface Area

78.738

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

J014-0318 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with J014-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-0318?
Check Price and Availability of J014-0318, 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 J014-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-0318
  • 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 J014-0318 available by request