V010-5059 Screening compound: N-(2,4-dimethylphenyl)-4-[5-ethyl-6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]tetrahydro-1(2H)-pyrazinecarboxamide

V010-5059 Screening compound: N-(2,4-dimethylphenyl)-4-[5-ethyl-6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]tetrahydro-1(2H)-pyrazinecarboxamide
V010-5059 Screening compound: N-(2,4-dimethylphenyl)-4-[5-ethyl-6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-5059
N-(2,4-dimethylphenyl)-4-[5-ethyl-6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]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

V010-5059

Molecular Formula

C27H33N5O (C27 H33 N5 O)

Compound Name

N-(2,4-dimethylphenyl)-4-[5-ethyl-6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

N-(24-dimethylphenyl)-4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxamide

SMILES

CCc1c(C)nc(-c2cc(C)ccc2)nc1N(CC1)CCN1C(Nc1c(C)cc(C)cc1)=O

InChI

InChI=1S/C27H33N5O/c1-6-23-21(5)28-25(22-9-7-8-18(2)17-22)30-26(23)31-12-14-32(15-13-31)27(33)29-24-11-10-19(3)16-20(24)4/h7-11,16-17H,6,12-15H2,1-5H3,(H,29,33)

InChI Key

GHLIYOVKRJZHLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19851693

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.939

Distribution Coefficient, logD

6.735

Water Solubility, LogSw

-5.54

Polar Surface Area

47.080

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.04

V010-5059 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V010-5059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-5059?
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What is the minimum amount of V010-5059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-5059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-5059
  • 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 V010-5059 available by request