V024-0527 Screening compound: 3-{[(2H-1,3-benzodioxol-5-yl)methyl][(oxolan-2-yl)methyl]amino}-2-(2-fluorophenoxy)-N-[2-(pyrrolidin-1-yl)ethyl]propanamide

V024-0527 Screening compound: 3-{[(2H-1,3-benzodioxol-5-yl)methyl][(oxolan-2-yl)methyl]amino}-2-(2-fluorophenoxy)-N-[2-(pyrrolidin-1-yl)ethyl]propanamide
V024-0527 Screening compound: 3-{[(2H-1,3-benzodioxol-5-yl)methyl][(oxolan-2-yl)methyl]amino}-2-(2-fluorophenoxy)-N-[2-(pyrrolidin-1-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-0527
3-{[(2H-1,3-benzodioxol-5-yl)methyl][(oxolan-2-yl)methyl]amino}-2-(2-fluorophenoxy)-N-[2-(pyrrolidin-1-yl)ethyl]propanamide

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

V024-0527

Molecular Formula

C28H36FN3O5 (C28 H36 FN3 O5)

Compound Name

3-{[(2H-1,3-benzodioxol-5-yl)methyl][(oxolan-2-yl)methyl]amino}-2-(2-fluorophenoxy)-N-[2-(pyrrolidin-1-yl)ethyl]propanamide

IUPAC name

3-{[(2H-13-benzodioxol-5-yl)methyl][(oxolan-2-yl)methyl]amino}-2-(2-fluorophenoxy)-N-[2-(pyrrolidin-1-yl)ethyl]propanamide

SMILES

O=C(C(CN(CC1OCCC1)Cc(cc1)cc2c1OCO2)Oc(cccc1)c1F)NCCN1CCCC1

InChI

InChI=1S/C28H36FN3O5/c29-23-7-1-2-8-24(23)37-27(28(33)30-11-14-31-12-3-4-13-31)19-32(18-22-6-5-15-34-22)17-21-9-10-25-26(16-21)36-20-35-25/h1-2,7-10,16,22,27H,3-6,11-15,17-20H2,(H,30,33)

InChI Key

YXBOXFZQKMGSAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19924461

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

513.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.122

Distribution Coefficient, logD

0.848

Water Solubility, LogSw

-3.16

Polar Surface Area

64.811

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

9.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.57

References: we are preparing a list of scientific research reports with V024-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-0527?
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What is the minimum amount of V024-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-0527
  • 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 V024-0527 available by request