J014-2271 Screening compound: 6-chloro-N-(2,4-dimethylpentan-3-yl)-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

J014-2271 Screening compound: 6-chloro-N-(2,4-dimethylpentan-3-yl)-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
J014-2271 Screening compound: 6-chloro-N-(2,4-dimethylpentan-3-yl)-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-2271
6-chloro-N-(2,4-dimethylpentan-3-yl)-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

J014-2271

Molecular Formula

C23H29ClN2O4S (C23 H29 ClN2 O4 S)

Compound Name

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

IUPAC name

6-chloro-N-(24-dimethylpentan-3-yl)-4-(4-methylbenzenesulfonyl)-34-dihydro-2H-14-benzoxazine-2-carboxamide

SMILES

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

InChI

InChI=1S/C23H29ClN2O4S/c1-14(2)22(15(3)4)25-23(27)21-13-26(19-12-17(24)8-11-20(19)30-21)31(28,29)18-9-6-16(5)7-10-18/h6-12,14-15,21-22H,13H2,1-5H3,(H,25,27)/t21-/m1/s1

InChI Key

WBHXULPSDVCBJZ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD27217628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.818

Distribution Coefficient, logD

5.818

Water Solubility, LogSw

-5.88

Polar Surface Area

62.428

Acid Dissociation Constant (pKa)

16.30

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

J014-2271 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 J014-2271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-2271?
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What is the minimum amount of J014-2271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-2271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-2271
  • 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 J014-2271 available by request