V027-7872 Screening compound: 4-{1-cyclopentyl-2-oxo-2-[(2-pyridylmethyl)amino]ethyl}-N~1~-(4-isopropylphenyl)tetrahydro-1(2H)-pyrazinecarboxamide

V027-7872 Screening compound: 4-{1-cyclopentyl-2-oxo-2-[(2-pyridylmethyl)amino]ethyl}-N~1~-(4-isopropylphenyl)tetrahydro-1(2H)-pyrazinecarboxamide
V027-7872 Screening compound: 4-{1-cyclopentyl-2-oxo-2-[(2-pyridylmethyl)amino]ethyl}-N~1~-(4-isopropylphenyl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-7872
4-{1-cyclopentyl-2-oxo-2-[(2-pyridylmethyl)amino]ethyl}-N~1~-(4-isopropylphenyl)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

V027-7872

Molecular Formula

C27H37N5O2 (C27 H37 N5 O2)

Compound Name

4-{1-cyclopentyl-2-oxo-2-[(2-pyridylmethyl)amino]ethyl}-N~1~-(4-isopropylphenyl)tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

4-[cyclopentyl({[(pyridin-2-yl)methyl]carbamoyl})methyl]-N-[4-(propan-2-yl)phenyl]piperazine-1-carboxamide

SMILES

CC(C)c(cc1)ccc1NC(N(CC1)CCN1C(C1CCCC1)C(NCc1ncccc1)=O)=O

InChI

InChI=1S/C27H37N5O2/c1-20(2)21-10-12-23(13-11-21)30-27(34)32-17-15-31(16-18-32)25(22-7-3-4-8-22)26(33)29-19-24-9-5-6-14-28-24/h5-6,9-14,20,22,25H,3-4,7-8,15-19H2,1-2H3,(H,29,33)(H,30,34)/t25-/m0/s1

InChI Key

SLCSNIDVFNQNSC-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19882724

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.627

Distribution Coefficient, logD

3.626

Water Solubility, LogSw

-3.72

Polar Surface Area

63.055

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.85

V027-7872 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V027-7872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-7872?
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What is the minimum amount of V027-7872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-7872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-7872
  • 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 V027-7872 available by request