J014-2220 Screening compound: N-(butan-2-yl)-6-chloro-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

J014-2220 Screening compound: N-(butan-2-yl)-6-chloro-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
J014-2220 Screening compound: N-(butan-2-yl)-6-chloro-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-2220
N-(butan-2-yl)-6-chloro-4-(4-methylbenzenesulfonyl)-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

J014-2220

Molecular Formula

C20H23ClN2O4S (C20 H23 ClN2 O4 S)

Compound Name

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

IUPAC name

N-(butan-2-yl)-6-chloro-4-(4-methylbenzenesulfonyl)-34-dihydro-2H-14-benzoxazine-2-carboxamide

SMILES

CCC(C)NC(C(C1)Oc(ccc(Cl)c2)c2N1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C20H23ClN2O4S/c1-4-14(3)22-20(24)19-12-23(17-11-15(21)7-10-18(17)27-19)28(25,26)16-8-5-13(2)6-9-16/h5-11,14,19H,4,12H2,1-3H3,(H,22,24)

InChI Key

FHPMNMWEHAPPJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27644397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.012

Distribution Coefficient, logD

4.012

Water Solubility, LogSw

-4.37

Polar Surface Area

62.518

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

J014-2220 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J014-2220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-2220?
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What is the minimum amount of J014-2220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-2220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-2220
  • 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 J014-2220 available by request