J014-1738 Screening compound: 4-(benzenesulfonyl)-6-chloro-N-(naphthalen-1-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

J014-1738 Screening compound: 4-(benzenesulfonyl)-6-chloro-N-(naphthalen-1-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
J014-1738 Screening compound: 4-(benzenesulfonyl)-6-chloro-N-(naphthalen-1-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-1738
4-(benzenesulfonyl)-6-chloro-N-(naphthalen-1-yl)-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

J014-1738

Molecular Formula

C25H19ClN2O4S (C25 H19 ClN2 O4 S)

Compound Name

4-(benzenesulfonyl)-6-chloro-N-(naphthalen-1-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

IUPAC name

4-(benzenesulfonyl)-6-chloro-N-(naphthalen-1-yl)-34-dihydro-2H-14-benzoxazine-2-carboxamide

SMILES

O=C(C(C1)Oc(ccc(Cl)c2)c2N1S(c1ccccc1)(=O)=O)Nc1cccc2ccccc12

InChI

InChI=1S/C25H19ClN2O4S/c26-18-13-14-23-22(15-18)28(33(30,31)19-9-2-1-3-10-19)16-24(32-23)25(29)27-21-12-6-8-17-7-4-5-11-20(17)21/h1-15,24H,16H2,(H,27,29)/t24-/m1/s1

InChI Key

XWFNDWWWKVTWTD-XMMPIXPASA-N

MDL Number (MFCD)

MFCD27217431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.896

Distribution Coefficient, logD

4.896

Water Solubility, LogSw

-5.24

Polar Surface Area

60.513

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with J014-1738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-1738?
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What is the minimum amount of J014-1738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-1738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-1738
  • 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 J014-1738 available by request