V007-1080 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]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide

V007-1080 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]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide
V007-1080 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]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-1080
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]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide

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

V007-1080

Molecular Formula

C29H30F4N4O3 (C29 H30 F4 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]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide

IUPAC name

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

SMILES

CC(C)CC(C(NCc(cc1)ccc1F)=O)N(CC(N1CC=C)=C2C(c3c(C(F)(F)F)cccc3)NC1=O)C2=O

InChI

InChI=1S/C29H30F4N4O3/c1-4-13-36-23-16-37(22(14-17(2)3)26(38)34-15-18-9-11-19(30)12-10-18)27(39)24(23)25(35-28(36)40)20-7-5-6-8-21(20)29(31,32)33/h4-12,17,22,25H,1,13-16H2,2-3H3,(H,34,38)(H,35,40)

InChI Key

INUAHALENJRPMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19936209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.632

Distribution Coefficient, logD

4.544

Water Solubility, LogSw

-4.36

Polar Surface Area

68.491

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

V007-1080 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V007-1080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-1080?
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What is the minimum amount of V007-1080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-1080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-1080
  • 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 V007-1080 available by request