V030-4777 Screening compound: 1-[(butan-2-yl)[(2,5-dimethylphenyl)methyl]amino]-3-phenoxypropan-2-ol

V030-4777 Screening compound: 1-[(butan-2-yl)[(2,5-dimethylphenyl)methyl]amino]-3-phenoxypropan-2-ol
V030-4777 Screening compound: 1-[(butan-2-yl)[(2,5-dimethylphenyl)methyl]amino]-3-phenoxypropan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4777
1-[(butan-2-yl)[(2,5-dimethylphenyl)methyl]amino]-3-phenoxypropan-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

V030-4777

Molecular Formula

C22H31NO2 (C22 H31 NO2)

Compound Name

1-[(butan-2-yl)[(2,5-dimethylphenyl)methyl]amino]-3-phenoxypropan-2-ol

IUPAC name

1-[(butan-2-yl)[(25-dimethylphenyl)methyl]amino]-3-phenoxypropan-2-ol

SMILES

CCC(C)N(CC(COc1ccccc1)O)Cc1c(C)ccc(C)c1

InChI

InChI=1S/C22H31NO2/c1-5-19(4)23(14-20-13-17(2)11-12-18(20)3)15-21(24)16-25-22-9-7-6-8-10-22/h6-13,19,21,24H,5,14-16H2,1-4H3

InChI Key

BGPYBWMZDQKAEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10459157

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

341.49

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

5.431

Distribution Coefficient, logD

4.555

Water Solubility, LogSw

-5.36

Polar Surface Area

27.289

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.46

V030-4777 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with V030-4777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4777?
Check Price and Availability of V030-4777, 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 V030-4777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4777
  • 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 V030-4777 available by request