V005-0850 Screening compound: 1-(1-{5-[(4-methoxyphenyl)methyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

V005-0850 Screening compound: 1-(1-{5-[(4-methoxyphenyl)methyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
V005-0850 Screening compound: 1-(1-{5-[(4-methoxyphenyl)methyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-0850
1-(1-{5-[(4-methoxyphenyl)methyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

V005-0850

Molecular Formula

C27H28N6O4 (C27 H28 N6 O4)

Compound Name

1-(1-{5-[(4-methoxyphenyl)methyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

1-(1-{5-[(4-methoxyphenyl)methyl]-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-2-carbonyl}piperidin-4-yl)-23-dihydro-1H-13-benzodiazol-2-one

SMILES

COc1ccc(CN(CCn(c2c3)nc3C(N(CC3)CCC3N(c(cccc3)c3N3)C3=O)=O)C2=O)cc1

InChI

InChI=1S/C27H28N6O4/c1-37-20-8-6-18(7-9-20)17-31-14-15-32-24(26(31)35)16-22(29-32)25(34)30-12-10-19(11-13-30)33-23-5-3-2-4-21(23)28-27(33)36/h2-9,16,19H,10-15,17H2,1H3,(H,28,36)

InChI Key

BELWMRQFFXNNON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19938824

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.833

Distribution Coefficient, logD

2.833

Water Solubility, LogSw

-3.44

Polar Surface Area

80.096

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

V005-0850 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Anti-HIV1 Library (19540 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V005-0850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-0850?
Check Price and Availability of V005-0850, 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 V005-0850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-0850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-0850
  • 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 V005-0850 available by request