V008-0502 Screening compound: 1-[benzyl(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol

V008-0502 Screening compound: 1-[benzyl(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
V008-0502 Screening compound: 1-[benzyl(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0502
1-[benzyl(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol

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

V008-0502

Molecular Formula

C21H29NO2 (C21 H29 NO2)

Compound Name

1-[benzyl(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol

IUPAC name

1-[benzyl(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol

SMILES

CC(C)CN(CC(COc1c(C)cccc1)O)Cc1ccccc1

InChI

InChI=1S/C21H29NO2/c1-17(2)13-22(14-19-10-5-4-6-11-19)15-20(23)16-24-21-12-8-7-9-18(21)3/h4-12,17,20,23H,13-16H2,1-3H3/t20-/m0/s1

InChI Key

IRYGMFCXWPAQBB-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD10459082

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

327.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.969

Distribution Coefficient, logD

4.442

Water Solubility, LogSw

-4.61

Polar Surface Area

28.155

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

7.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V008-0502 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V008-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0502?
Check Price and Availability of V008-0502, 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 V008-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0502
  • 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 V008-0502 available by request