V010-9337 Screening compound: 2-{1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-N,N-dipropylacetamide

V010-9337 Screening compound: 2-{1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-N,N-dipropylacetamide
V010-9337 Screening compound: 2-{1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-N,N-dipropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9337
2-{1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-N,N-dipropylacetamide

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

V010-9337

Molecular Formula

C22H27F3N4O3 (C22 H27 F3 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CCC)C(CN(CC(N1C)=C2C(c3c(C(F)(F)F)cccc3)NC1=O)C2=O)=O

InChI

InChI=1S/C22H27F3N4O3/c1-4-10-28(11-5-2)17(30)13-29-12-16-18(20(29)31)19(26-21(32)27(16)3)14-8-6-7-9-15(14)22(23,24)25/h6-9,19H,4-5,10-13H2,1-3H3,(H,26,32)/t19-/m1/s1

InChI Key

FQBLAFHQYXCPFM-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19936480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.561

Distribution Coefficient, logD

2.378

Water Solubility, LogSw

-3.10

Polar Surface Area

60.686

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V010-9337 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V010-9337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9337?
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What is the minimum amount of V010-9337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9337
  • 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 V010-9337 available by request