V016-5135 Screening compound: 1-[4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-[ethyl(2-hydroxy-2-phenylethyl)amino]-1-ethanone

V016-5135 Screening compound: 1-[4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-[ethyl(2-hydroxy-2-phenylethyl)amino]-1-ethanone
V016-5135 Screening compound: 1-[4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-[ethyl(2-hydroxy-2-phenylethyl)amino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-5135
1-[4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-[ethyl(2-hydroxy-2-phenylethyl)amino]-1-ethanone

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

V016-5135

Molecular Formula

C28H34N2O3S (C28 H34 N2 O3 S)

Compound Name

1-[4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-[ethyl(2-hydroxy-2-phenylethyl)amino]-1-ethanone

IUPAC name

1-{4-[(24-dimethylphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-[ethyl(2-hydroxy-2-phenylethyl)amino]ethan-1-one

SMILES

CCN(CC(c1ccccc1)O)CC(N(CC1)C(COc2c(C)cc(C)cc2)c2c1scc2)=O

InChI

InChI=1S/C28H34N2O3S/c1-4-29(17-25(31)22-8-6-5-7-9-22)18-28(32)30-14-12-27-23(13-15-34-27)24(30)19-33-26-11-10-20(2)16-21(26)3/h5-11,13,15-16,24-25,31H,4,12,14,17-19H2,1-3H3

InChI Key

GMFOZEQPUZPABD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19882420

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

478.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.405

Distribution Coefficient, logD

5.403

Water Solubility, LogSw

-5.23

Polar Surface Area

43.750

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.29

V016-5135 in Drug Discovery

Included in Screening Libraries

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 V016-5135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-5135?
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What is the minimum amount of V016-5135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-5135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-5135
  • 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 V016-5135 available by request