V004-5192 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-3-(trifluoromethyl)benzoyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

V004-5192 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-3-(trifluoromethyl)benzoyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine
V004-5192 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-3-(trifluoromethyl)benzoyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5192
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-3-(trifluoromethyl)benzoyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

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

V004-5192

Molecular Formula

C24H21F3N2O3 (C24 H21 F3 N2 O3)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-3-(trifluoromethyl)benzoyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-2-[4-methyl-3-(trifluoromethyl)benzoyl]-1H2H3H4H-pyrrolo[12-a]pyrazine

SMILES

Cc(cc1)c(C(F)(F)F)cc1C(N(CCn1c2ccc1)C2c(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C24H21F3N2O3/c1-15-4-5-17(13-18(15)24(25,26)27)23(30)29-10-9-28-8-2-3-19(28)22(29)16-6-7-20-21(14-16)32-12-11-31-20/h2-8,13-14,22H,9-12H2,1H3/t22-/m1/s1

InChI Key

POKQOPHBQVQBQC-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19791522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.367

Distribution Coefficient, logD

4.367

Water Solubility, LogSw

-4.31

Polar Surface Area

34.184

Acid Dissociation Constant (pKa)

26.29

Base Dissociation Constant (pKb)

-5.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

V004-5192 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V004-5192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5192?
Check Price and Availability of V004-5192, 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 V004-5192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5192
  • 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 V004-5192 available by request