V012-5535 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide

V012-5535 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
V012-5535 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-5535
2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-N-(2-methoxyethyl)-1,3-oxazole-4-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

V012-5535

Molecular Formula

C23H24FN3O5 (C23 H24 FN3 O5)

Compound Name

2-({[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide

IUPAC name

2-({[(2H-13-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}methyl)-N-(2-methoxyethyl)-13-oxazole-4-carboxamide

SMILES

COCCNC(c1coc(CN(Cc(cc2)cc3c2OCO3)Cc(cccc2)c2F)n1)=O

InChI

InChI=1S/C23H24FN3O5/c1-29-9-8-25-23(28)19-14-30-22(26-19)13-27(12-17-4-2-3-5-18(17)24)11-16-6-7-20-21(10-16)32-15-31-20/h2-7,10,14H,8-9,11-13,15H2,1H3,(H,25,28)

InChI Key

OLHVGJFHYCDFBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19830383

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

441.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.961

Distribution Coefficient, logD

2.961

Water Solubility, LogSw

-3.26

Polar Surface Area

72.069

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with V012-5535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-5535?
Check Price and Availability of V012-5535, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V012-5535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-5535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-5535
  • 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 V012-5535 available by request