V023-4086 Screening compound: N-{3-amino-4-(3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-yl}-N-tetrahydro-2-furanylmethylamine

V023-4086 Screening compound: N-{3-amino-4-(3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-yl}-N-tetrahydro-2-furanylmethylamine
V023-4086 Screening compound: N-{3-amino-4-(3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-yl}-N-tetrahydro-2-furanylmethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-4086
N-{3-amino-4-(3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-yl}-N-tetrahydro-2-furanylmethylamine

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

V023-4086

Molecular Formula

C24H23F3N6O (C24 H23 F3 N6 O)

Compound Name

N-{3-amino-4-(3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-yl}-N-tetrahydro-2-furanylmethylamine

IUPAC name

4-(3-methylphenyl)-N6-[(oxolan-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[34-d]pyrimidine-36-diamine

SMILES

Cc1cccc(-c(c2c3N)nc(NCC4OCCC4)nc2nn3-c2ccc(C(F)(F)F)cc2)c1

InChI

InChI=1S/C24H23F3N6O/c1-14-4-2-5-15(12-14)20-19-21(28)33(17-9-7-16(8-10-17)24(25,26)27)32-22(19)31-23(30-20)29-13-18-6-3-11-34-18/h2,4-5,7-10,12,18H,3,6,11,13,28H2,1H3,(H,29,31,32)/t18-/m1/s1

InChI Key

BETDSODMIUCTHK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14249741

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

468.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.972

Distribution Coefficient, logD

4.972

Water Solubility, LogSw

-4.98

Polar Surface Area

73.465

Acid Dissociation Constant (pKa)

18.25

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.17

V023-4086 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V023-4086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-4086?
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What is the minimum amount of V023-4086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-4086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-4086
  • 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 V023-4086 available by request