V002-8517 Screening compound: 2-[1-(3,4-dichlorophenyl)-N-[2-(piperidin-1-yl)ethyl]formamido]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

V002-8517 Screening compound: 2-[1-(3,4-dichlorophenyl)-N-[2-(piperidin-1-yl)ethyl]formamido]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
V002-8517 Screening compound: 2-[1-(3,4-dichlorophenyl)-N-[2-(piperidin-1-yl)ethyl]formamido]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-8517
2-[1-(3,4-dichlorophenyl)-N-[2-(piperidin-1-yl)ethyl]formamido]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

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

V002-8517

Molecular Formula

C32H39Cl2N3O5 (C32 H39 Cl2 N3 O5)

Compound Name

2-[1-(3,4-dichlorophenyl)-N-[2-(piperidin-1-yl)ethyl]formamido]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

IUPAC name

2-[1-(34-dichlorophenyl)-N-[2-(piperidin-1-yl)ethyl]formamido]-N-[2-(34-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

SMILES

Cc1ccc(CN(CCc(cc2)cc(OC)c2OC)C(CN(CCN2CCCCC2)C(c(cc2)cc(Cl)c2Cl)=O)=O)o1

InChI

InChI=1S/C32H39Cl2N3O5/c1-23-7-10-26(42-23)21-36(16-13-24-8-12-29(40-2)30(19-24)41-3)31(38)22-37(18-17-35-14-5-4-6-15-35)32(39)25-9-11-27(33)28(34)20-25/h7-12,19-20H,4-6,13-18,21-22H2,1-3H3

InChI Key

ZGRVQOHLGXJHQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19772360

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

616.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.962

Distribution Coefficient, logD

4.366

Water Solubility, LogSw

-5.13

Polar Surface Area

58.325

Acid Dissociation Constant (pKa)

21.81

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

V002-8517 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V002-8517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-8517?
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What is the minimum amount of V002-8517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-8517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-8517
  • 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 V002-8517 available by request