J014-1689 Screening compound: 4-(benzenesulfonyl)-6-tert-butyl-N-(3-methylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

J014-1689 Screening compound: 4-(benzenesulfonyl)-6-tert-butyl-N-(3-methylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
J014-1689 Screening compound: 4-(benzenesulfonyl)-6-tert-butyl-N-(3-methylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-1689
4-(benzenesulfonyl)-6-tert-butyl-N-(3-methylbutyl)-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

J014-1689

Molecular Formula

C24H32N2O4S (C24 H32 N2 O4 S)

Compound Name

4-(benzenesulfonyl)-6-tert-butyl-N-(3-methylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

IUPAC name

4-(benzenesulfonyl)-6-tert-butyl-N-(3-methylbutyl)-34-dihydro-2H-14-benzoxazine-2-carboxamide

SMILES

CC(C)CCNC(C(C1)Oc(ccc(C(C)(C)C)c2)c2N1S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C24H32N2O4S/c1-17(2)13-14-25-23(27)22-16-26(31(28,29)19-9-7-6-8-10-19)20-15-18(24(3,4)5)11-12-21(20)30-22/h6-12,15,17,22H,13-14,16H2,1-5H3,(H,25,27)/t22-/m1/s1

InChI Key

DXAWDAGJYJZPLL-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD27217414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.831

Distribution Coefficient, logD

4.831

Water Solubility, LogSw

-4.45

Polar Surface Area

62.918

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

References: we are preparing a list of scientific research reports with J014-1689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-1689?
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What is the minimum amount of J014-1689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-1689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-1689
  • 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 J014-1689 available by request