V018-8056 Screening compound: ethyl 4-{5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperazine-1-carboxylate

V018-8056 Screening compound: ethyl 4-{5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperazine-1-carboxylate
V018-8056 Screening compound: ethyl 4-{5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-8056
ethyl 4-{5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperazine-1-carboxylate

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

V018-8056

Molecular Formula

C21H23ClFN5O4 (C21 H23 ClFN5 O4)

Compound Name

ethyl 4-{5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-2-carbonyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1nn(CCN(Cc(c(F)ccc2)c2Cl)C2=O)c2c1)=O)=O

InChI

InChI=1S/C21H23ClFN5O4/c1-2-32-21(31)26-8-6-25(7-9-26)19(29)17-12-18-20(30)27(10-11-28(18)24-17)13-14-15(22)4-3-5-16(14)23/h3-5,12H,2,6-11,13H2,1H3

InChI Key

IHMBTTWRSVYCCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19938678

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.011

Distribution Coefficient, logD

2.011

Water Solubility, LogSw

-2.83

Polar Surface Area

69.479

Acid Dissociation Constant (pKa)

26.41

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with V018-8056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-8056?
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What is the minimum amount of V018-8056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-8056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-8056
  • 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 V018-8056 available by request