V028-9558 Screening compound: 4-[1-CYCLOPENTYL-2-OXO-2-(1-PYRROLIDINYL)ETHYL]-N1-(3-FLUOROPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE

V028-9558 Screening compound: 4-[1-CYCLOPENTYL-2-OXO-2-(1-PYRROLIDINYL)ETHYL]-N1-(3-FLUOROPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE
V028-9558 Screening compound: 4-[1-CYCLOPENTYL-2-OXO-2-(1-PYRROLIDINYL)ETHYL]-N1-(3-FLUOROPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-9558
4-[1-CYCLOPENTYL-2-OXO-2-(1-PYRROLIDINYL)ETHYL]-N1-(3-FLUOROPHENYL)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

V028-9558

Molecular Formula

C22H31FN4O2 (C22 H31 FN4 O2)

Compound Name

4-[1-CYCLOPENTYL-2-OXO-2-(1-PYRROLIDINYL)ETHYL]-N1-(3-FLUOROPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(C(C1CCCC1)N(CC1)CCN1C(Nc1cccc(F)c1)=O)N1CCCC1

InChI

InChI=1S/C22H31FN4O2/c23-18-8-5-9-19(16-18)24-22(29)27-14-12-25(13-15-27)20(17-6-1-2-7-17)21(28)26-10-3-4-11-26/h5,8-9,16-17,20H,1-4,6-7,10-15H2,(H,24,29)/t20-/m0/s1

InChI Key

UNJSVIWDHTWLHC-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19882760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.966

Distribution Coefficient, logD

2.931

Water Solubility, LogSw

-3.22

Polar Surface Area

46.113

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

V028-9558 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V028-9558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-9558?
Check Price and Availability of V028-9558, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V028-9558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-9558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-9558
  • 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 V028-9558 available by request