V008-0532 Screening compound: 1-{[(3-methoxyphenyl)methyl](propan-2-yl)amino}-3-(2-methylphenoxy)propan-2-ol

V008-0532 Screening compound: 1-{[(3-methoxyphenyl)methyl](propan-2-yl)amino}-3-(2-methylphenoxy)propan-2-ol
V008-0532 Screening compound: 1-{[(3-methoxyphenyl)methyl](propan-2-yl)amino}-3-(2-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0532
1-{[(3-methoxyphenyl)methyl](propan-2-yl)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

V008-0532

Molecular Formula

C21H29NO3 (C21 H29 NO3)

Compound Name

1-{[(3-methoxyphenyl)methyl](propan-2-yl)amino}-3-(2-methylphenoxy)propan-2-ol

IUPAC name

1-{[(3-methoxyphenyl)methyl](propan-2-yl)amino}-3-(2-methylphenoxy)propan-2-ol

SMILES

CC(C)N(CC(COc1c(C)cccc1)O)Cc1cc(OC)ccc1

InChI

InChI=1S/C21H29NO3/c1-16(2)22(13-18-9-7-10-20(12-18)24-4)14-19(23)15-25-21-11-6-5-8-17(21)3/h5-12,16,19,23H,13-15H2,1-4H3/t19-/m0/s1

InChI Key

BWOWODPSOAPLNC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19838748

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

343.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.483

Distribution Coefficient, logD

2.333

Water Solubility, LogSw

-4.50

Polar Surface Area

35.335

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V008-0532 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 V008-0532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0532?
Check Price and Availability of V008-0532, 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 V008-0532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0532
  • 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 V008-0532 available by request