V002-1870 Screening compound: 4-[2-[(3-chlorobenzyl)oxy]-2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)tetrahydro-1(2H)-pyrazinecarboxamide

V002-1870 Screening compound: 4-[2-[(3-chlorobenzyl)oxy]-2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)tetrahydro-1(2H)-pyrazinecarboxamide
V002-1870 Screening compound: 4-[2-[(3-chlorobenzyl)oxy]-2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1870
4-[2-[(3-chlorobenzyl)oxy]-2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)tetrahydro-1(2H)-pyrazinecarboxamide

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

V002-1870

Molecular Formula

C28H32ClN3O3 (C28 H32 ClN3 O3)

Compound Name

4-[2-[(3-chlorobenzyl)oxy]-2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

4-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}-N-(4-methylphenyl)piperazine-1-carboxamide

SMILES

Cc(cc1)ccc1NC(N1CCN(CC(c2cc(OC)ccc2)OCc2cccc(Cl)c2)CC1)=O

InChI

InChI=1S/C28H32ClN3O3/c1-21-9-11-25(12-10-21)30-28(33)32-15-13-31(14-16-32)19-27(23-6-4-8-26(18-23)34-2)35-20-22-5-3-7-24(29)17-22/h3-12,17-18,27H,13-16,19-20H2,1-2H3,(H,30,33)/t27-/m0/s1

InChI Key

NKNNGWSWRSFDOP-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19971377

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

494.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.435

Distribution Coefficient, logD

5.398

Water Solubility, LogSw

-5.96

Polar Surface Area

43.672

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.14

References: we are preparing a list of scientific research reports with V002-1870 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1870?
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What is the minimum amount of V002-1870 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1870
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1870
  • 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 V002-1870 available by request