M338-0028 Screening compound: N-(butan-2-yl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide

M338-0028 Screening compound: N-(butan-2-yl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide
M338-0028 Screening compound: N-(butan-2-yl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M338-0028
N-(butan-2-yl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-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

M338-0028

Molecular Formula

C16H18N4O4 (C16 H18 N4 O4)

Compound Name

N-(butan-2-yl)-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide

IUPAC name

N-(butan-2-yl)-3-(4-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)-124-oxadiazole-5-carboxamide

SMILES

CCC(C)NC(c1nc(-c(cc2)cc(OC3)c2N(C)C3=O)no1)=O

InChI

InChI=1S/C16H18N4O4/c1-4-9(2)17-15(22)16-18-14(19-24-16)10-5-6-11-12(7-10)23-8-13(21)20(11)3/h5-7,9H,4,8H2,1-3H3,(H,17,22)/t9-/m0/s1

InChI Key

HJIKXJJLSWYIPQ-VIFPVBQESA-N

MDL Number (MFCD)

MFCD27537266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.487

Distribution Coefficient, logD

1.487

Water Solubility, LogSw

-2.24

Polar Surface Area

79.909

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

M338-0028 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Soluble Diversity Library (15920 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with M338-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M338-0028?
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What is the minimum amount of M338-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M338-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M338-0028
  • 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 M338-0028 available by request