V016-6516 Screening compound: 1-[(2-methoxyethyl)[(5-methylthiophen-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol

V016-6516 Screening compound: 1-[(2-methoxyethyl)[(5-methylthiophen-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
V016-6516 Screening compound: 1-[(2-methoxyethyl)[(5-methylthiophen-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6516
1-[(2-methoxyethyl)[(5-methylthiophen-2-yl)methyl]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

V016-6516

Molecular Formula

C19H27NO3S (C19 H27 NO3 S)

Compound Name

1-[(2-methoxyethyl)[(5-methylthiophen-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol

IUPAC name

1-[(2-methoxyethyl)[(5-methylthiophen-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol

SMILES

Cc1ccc(CN(CCOC)CC(COc2c(C)cccc2)O)s1

InChI

InChI=1S/C19H27NO3S/c1-15-6-4-5-7-19(15)23-14-17(21)12-20(10-11-22-3)13-18-9-8-16(2)24-18/h4-9,17,21H,10-14H2,1-3H3/t17-/m0/s1

InChI Key

PQRGYJTXBXZQTH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD10453390

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

349.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.035

Distribution Coefficient, logD

3.627

Water Solubility, LogSw

-4.18

Polar Surface Area

37.495

Acid Dissociation Constant (pKa)

16.21

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

V016-6516 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V016-6516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6516?
Check Price and Availability of V016-6516, 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 V016-6516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6516
  • 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 V016-6516 available by request