V022-7738 Screening compound: 6-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

V022-7738 Screening compound: 6-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
V022-7738 Screening compound: 6-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-7738
6-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

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

V022-7738

Molecular Formula

C30H32F3N5O3 (C30 H32 F3 N5 O3)

Compound Name

6-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

IUPAC name

6-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

CCN(CC1)CCN1C(C(c1ccccc1)N(CC(N1CC=C)=C2C(c3c(C(F)(F)F)cccc3)NC1=O)C2=O)=O

InChI

InChI=1S/C30H32F3N5O3/c1-3-14-37-23-19-38(26(20-10-6-5-7-11-20)28(40)36-17-15-35(4-2)16-18-36)27(39)24(23)25(34-29(37)41)21-12-8-9-13-22(21)30(31,32)33/h3,5-13,25-26H,1,4,14-19H2,2H3,(H,34,41)

InChI Key

JSHKFQLOPWNSAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19806285

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

567.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.661

Distribution Coefficient, logD

3.338

Water Solubility, LogSw

-3.82

Polar Surface Area

64.027

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.70

V022-7738 in Drug Discovery

Included in Screening Libraries

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 V022-7738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-7738?
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What is the minimum amount of V022-7738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-7738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-7738
  • 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 V022-7738 available by request