V018-4489 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-(morpholin-4-yl)propyl]pentanamide

V018-4489 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-(morpholin-4-yl)propyl]pentanamide
V018-4489 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-(morpholin-4-yl)propyl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-4489
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-(morpholin-4-yl)propyl]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

V018-4489

Molecular Formula

C29H38F3N5O4 (C29 H38 F3 N5 O4)

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-(morpholin-4-yl)propyl]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-(morpholin-4-yl)propyl]pentanamide

SMILES

CC(C)CC(C(NCCCN1CCOCC1)=O)N(CC(N1CC=C)=C2C(c3c(C(F)(F)F)cccc3)NC1=O)C2=O

InChI

InChI=1S/C29H38F3N5O4/c1-4-11-36-23-18-37(22(17-19(2)3)26(38)33-10-7-12-35-13-15-41-16-14-35)27(39)24(23)25(34-28(36)40)20-8-5-6-9-21(20)29(30,31)32/h4-6,8-9,19,22,25H,1,7,10-18H2,2-3H3,(H,33,38)(H,34,40)

InChI Key

VXEWLGALMXMNRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19936205

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

577.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.039

Distribution Coefficient, logD

2.615

Water Solubility, LogSw

-3.44

Polar Surface Area

80.223

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.20

References: we are preparing a list of scientific research reports with V018-4489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-4489?
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What is the minimum amount of V018-4489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-4489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-4489
  • 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 V018-4489 available by request