V028-0748 Screening compound: N~3~-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-3-oxopropyl}-5-(3,4-dimethylphenyl)-3-isoxazolecarboxamide

V028-0748 Screening compound: N~3~-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-3-oxopropyl}-5-(3,4-dimethylphenyl)-3-isoxazolecarboxamide
V028-0748 Screening compound: N~3~-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-3-oxopropyl}-5-(3,4-dimethylphenyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0748
N~3~-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-3-oxopropyl}-5-(3,4-dimethylphenyl)-3-isoxazolecarboxamide

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

V028-0748

Molecular Formula

C23H23N3O5 (C23 H23 N3 O5)

Compound Name

N~3~-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-3-oxopropyl}-5-(3,4-dimethylphenyl)-3-isoxazolecarboxamide

IUPAC name

n/a

SMILES

Cc(cc1)c(C)cc1-c1cc(C(NCCC(NCc(cc2)cc3c2OCO3)=O)=O)no1

InChI

InChI=1S/C23H23N3O5/c1-14-3-5-17(9-15(14)2)20-11-18(26-31-20)23(28)24-8-7-22(27)25-12-16-4-6-19-21(10-16)30-13-29-19/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,24,28)(H,25,27)

InChI Key

UPXJTODUTIIZIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19813118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.472

Distribution Coefficient, logD

3.472

Water Solubility, LogSw

-3.60

Polar Surface Area

87.615

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with V028-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0748?
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What is the minimum amount of V028-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0748
  • 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 V028-0748 available by request