V025-5730 Screening compound: 2-[2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-(3-methylbutyl)pentanamide

V025-5730 Screening compound: 2-[2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-(3-methylbutyl)pentanamide
V025-5730 Screening compound: 2-[2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-(3-methylbutyl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5730
2-[2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-(3-methylbutyl)pentanamide

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

V025-5730

Molecular Formula

C27H35F3N4O3 (C27 H35 F3 N4 O3)

Compound Name

2-[2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-(3-methylbutyl)pentanamide

IUPAC name

2-[25-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-4-methyl-N-(3-methylbutyl)pentanamide

SMILES

CC(C)CCNC(C(CC(C)C)N(CC(N1CC=C)=C2C(c3c(C(F)(F)F)cccc3)NC1=O)C2=O)=O

InChI

InChI=1S/C27H35F3N4O3/c1-6-13-33-21-15-34(20(14-17(4)5)24(35)31-12-11-16(2)3)25(36)22(21)23(32-26(33)37)18-9-7-8-10-19(18)27(28,29)30/h6-10,16-17,20,23H,1,11-15H2,2-5H3,(H,31,35)(H,32,37)

InChI Key

JIEVPZCWINENJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19936206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.870

Distribution Coefficient, logD

4.781

Water Solubility, LogSw

-4.39

Polar Surface Area

68.604

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.90

V025-5730 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V025-5730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5730?
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What is the minimum amount of V025-5730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5730
  • 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 V025-5730 available by request