V002-2621 Screening compound: [3-(benzyloxy)-2-hydroxypropyl][(2,4-difluorophenyl)methyl]{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}amine

V002-2621 Screening compound: [3-(benzyloxy)-2-hydroxypropyl][(2,4-difluorophenyl)methyl]{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}amine
V002-2621 Screening compound: [3-(benzyloxy)-2-hydroxypropyl][(2,4-difluorophenyl)methyl]{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-2621
[3-(benzyloxy)-2-hydroxypropyl][(2,4-difluorophenyl)methyl]{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}amine

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

V002-2621

Molecular Formula

C28H30F2N2O4 (C28 H30 F2 N2 O4)

Compound Name

[3-(benzyloxy)-2-hydroxypropyl][(2,4-difluorophenyl)methyl]{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}amine

IUPAC name

[3-(benzyloxy)-2-hydroxypropyl][(24-difluorophenyl)methyl]{[3-(4-methoxyphenyl)-45-dihydro-12-oxazol-5-yl]methyl}amine

SMILES

COc(cc1)ccc1C1=NOC(CN(CC(COCc2ccccc2)O)Cc(ccc(F)c2)c2F)C1

InChI

InChI=1S/C28H30F2N2O4/c1-34-25-11-8-21(9-12-25)28-14-26(36-31-28)17-32(15-22-7-10-23(29)13-27(22)30)16-24(33)19-35-18-20-5-3-2-4-6-20/h2-13,24,26,33H,14-19H2,1H3

InChI Key

PKAJSCMTBKUYQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19869152

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

496.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.069

Distribution Coefficient, logD

5.065

Water Solubility, LogSw

-4.89

Polar Surface Area

59.112

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

5.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.10

V002-2621 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V002-2621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-2621?
Check Price and Availability of V002-2621, 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 V002-2621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-2621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-2621
  • 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 V002-2621 available by request