V006-0811 Screening compound: 1-{(3-methoxypropyl)[(5-methyl-2-thienyl)methyl]amino}-3-(2-propynyloxy)-2-propanol

V006-0811 Screening compound: 1-{(3-methoxypropyl)[(5-methyl-2-thienyl)methyl]amino}-3-(2-propynyloxy)-2-propanol
V006-0811 Screening compound: 1-{(3-methoxypropyl)[(5-methyl-2-thienyl)methyl]amino}-3-(2-propynyloxy)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0811
1-{(3-methoxypropyl)[(5-methyl-2-thienyl)methyl]amino}-3-(2-propynyloxy)-2-propanol

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

V006-0811

Molecular Formula

C16H25NO3S (C16 H25 NO3 S)

Compound Name

1-{(3-methoxypropyl)[(5-methyl-2-thienyl)methyl]amino}-3-(2-propynyloxy)-2-propanol

IUPAC name

[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](3-methoxypropyl)[(5-methylthiophen-2-yl)methyl]amine

SMILES

Cc1ccc(CN(CCCOC)CC(COCC#C)O)s1

InChI

InChI=1S/C16H25NO3S/c1-4-9-20-13-15(18)11-17(8-5-10-19-3)12-16-7-6-14(2)21-16/h1,6-7,15,18H,5,8-13H2,2-3H3/t15-/m0/s1

InChI Key

QTXLJFYLQIMLNH-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

311.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.179

Distribution Coefficient, logD

1.633

Water Solubility, LogSw

-2.20

Polar Surface Area

38.533

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

V006-0811 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V006-0811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0811?
Check Price and Availability of V006-0811, 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 V006-0811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0811
  • 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 V006-0811 available by request