V011-1652 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,N-dipropylpentanamide

V011-1652 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,N-dipropylpentanamide
V011-1652 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,N-dipropylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-1652
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,N-dipropylpentanamide

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

V011-1652

Molecular Formula

C27H37F3N4O3 (C27 H37 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,N-dipropylpentanamide

IUPAC name

2-{1-ethyl-25-dioxo-4-[2-(trifluoromethyl)phenyl]-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl}-4-methyl-NN-dipropylpentanamide

SMILES

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

InChI

InChI=1S/C27H37F3N4O3/c1-6-13-32(14-7-2)24(35)20(15-17(4)5)34-16-21-22(25(34)36)23(31-26(37)33(21)8-3)18-11-9-10-12-19(18)27(28,29)30/h9-12,17,20,23H,6-8,13-16H2,1-5H3,(H,31,37)

InChI Key

SRRRCFKFOHLNHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19936170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.933

Distribution Coefficient, logD

4.859

Water Solubility, LogSw

-4.50

Polar Surface Area

60.263

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.30

V011-1652 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V011-1652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-1652?
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What is the minimum amount of V011-1652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-1652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-1652
  • 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 V011-1652 available by request