V009-1649 Screening compound: 2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-4-methyl-N-(prop-2-en-1-yl)pentanamide

V009-1649 Screening compound: 2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-4-methyl-N-(prop-2-en-1-yl)pentanamide
V009-1649 Screening compound: 2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-4-methyl-N-(prop-2-en-1-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-1649
2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-4-methyl-N-(prop-2-en-1-yl)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

V009-1649

Molecular Formula

C24H29F3N4O3 (C24 H29 F3 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(CN1C(CC(C)C)C(NCC=C)=O)=C(C(c2c(C(F)(F)F)cccc2)N2)C1=O)C2=O

InChI

InChI=1S/C24H29F3N4O3/c1-5-11-28-21(32)17(12-14(3)4)31-13-18-19(22(31)33)20(29-23(34)30(18)6-2)15-9-7-8-10-16(15)24(25,26)27/h5,7-10,14,17,20H,1,6,11-13H2,2-4H3,(H,28,32)(H,29,34)

InChI Key

XXOPWDJMIWEDLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19936180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.572

Distribution Coefficient, logD

3.498

Water Solubility, LogSw

-3.68

Polar Surface Area

68.350

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.80

V009-1649 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 V009-1649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-1649?
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What is the minimum amount of V009-1649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-1649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-1649
  • 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 V009-1649 available by request