V022-3697 Screening compound: 2-[(CYCLOPROPYLMETHYL)(2-HYDROXY-2-PHENYLETHYL)AMINO]-1-[4-(PHENOXYMETHYL)-4H,5H,6H,7H-THIENO[3,2-C]PYRIDIN-5-YL]ETHAN-1-ONE

V022-3697 Screening compound: 2-[(CYCLOPROPYLMETHYL)(2-HYDROXY-2-PHENYLETHYL)AMINO]-1-[4-(PHENOXYMETHYL)-4H,5H,6H,7H-THIENO[3,2-C]PYRIDIN-5-YL]ETHAN-1-ONE
V022-3697 Screening compound: 2-[(CYCLOPROPYLMETHYL)(2-HYDROXY-2-PHENYLETHYL)AMINO]-1-[4-(PHENOXYMETHYL)-4H,5H,6H,7H-THIENO[3,2-C]PYRIDIN-5-YL]ETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-3697
2-[(CYCLOPROPYLMETHYL)(2-HYDROXY-2-PHENYLETHYL)AMINO]-1-[4-(PHENOXYMETHYL)-4H,5H,6H,7H-THIENO[3,2-C]PYRIDIN-5-YL]ETHAN-1-ONE

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

V022-3697

Molecular Formula

C28H32N2O3S (C28 H32 N2 O3 S)

Compound Name

2-[(CYCLOPROPYLMETHYL)(2-HYDROXY-2-PHENYLETHYL)AMINO]-1-[4-(PHENOXYMETHYL)-4H,5H,6H,7H-THIENO[3,2-C]PYRIDIN-5-YL]ETHAN-1-ONE

IUPAC name

n/a

SMILES

OC(CN(CC1CC1)CC(N(CC1)C(COc2ccccc2)c2c1scc2)=O)c1ccccc1

InChI

InChI=1S/C28H32N2O3S/c31-26(22-7-3-1-4-8-22)18-29(17-21-11-12-21)19-28(32)30-15-13-27-24(14-16-34-27)25(30)20-33-23-9-5-2-6-10-23/h1-10,14,16,21,25-26,31H,11-13,15,17-20H2

InChI Key

DJZUXWJSBLCUER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19882278

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

476.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.667

Distribution Coefficient, logD

4.630

Water Solubility, LogSw

-4.39

Polar Surface Area

44.191

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.30

V022-3697 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V022-3697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-3697?
Check Price and Availability of V022-3697, 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 V022-3697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-3697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-3697
  • 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 V022-3697 available by request