V020-1272 Screening compound: 3-methyl-1-(4-phenoxyphenyl)-4-(2-thienylcarbonyl)tetrahydro-2(1H)-pyrazinone

V020-1272 Screening compound: 3-methyl-1-(4-phenoxyphenyl)-4-(2-thienylcarbonyl)tetrahydro-2(1H)-pyrazinone
V020-1272 Screening compound: 3-methyl-1-(4-phenoxyphenyl)-4-(2-thienylcarbonyl)tetrahydro-2(1H)-pyrazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-1272
3-methyl-1-(4-phenoxyphenyl)-4-(2-thienylcarbonyl)tetrahydro-2(1H)-pyrazinone

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

V020-1272

Molecular Formula

C22H20N2O3S (C22 H20 N2 O3 S)

Compound Name

3-methyl-1-(4-phenoxyphenyl)-4-(2-thienylcarbonyl)tetrahydro-2(1H)-pyrazinone

IUPAC name

3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one

SMILES

CC(C(N(CC1)c(cc2)ccc2Oc2ccccc2)=O)N1C(c1cccs1)=O

InChI

InChI=1S/C22H20N2O3S/c1-16-21(25)24(14-13-23(16)22(26)20-8-5-15-28-20)17-9-11-19(12-10-17)27-18-6-3-2-4-7-18/h2-12,15-16H,13-14H2,1H3/t16-/m0/s1

InChI Key

IFEAAAQORNCRKC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD10462798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.308

Distribution Coefficient, logD

4.308

Water Solubility, LogSw

-4.22

Polar Surface Area

39.742

Acid Dissociation Constant (pKa)

19.24

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.18

V020-1272 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 V020-1272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-1272?
Check Price and Availability of V020-1272, 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 V020-1272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-1272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-1272
  • 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 V020-1272 available by request