V018-7818 Screening compound: 1-(3-fluorobenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane

V018-7818 Screening compound: 1-(3-fluorobenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane
V018-7818 Screening compound: 1-(3-fluorobenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-7818
1-(3-fluorobenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane

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

V018-7818

Molecular Formula

C32H31FN6O (C32 H31 FN6 O)

Compound Name

1-(3-fluorobenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepane

IUPAC name

1-(3-fluorobenzoyl)-4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-14-diazepane

SMILES

Cc(c1c2nc(Cc3ccc(C)cc3)nc1N(CCC1)CCN1C(c1cccc(F)c1)=O)nn2-c1ccccc1

InChI

InChI=1S/C32H31FN6O/c1-22-12-14-24(15-13-22)20-28-34-30(29-23(2)36-39(31(29)35-28)27-10-4-3-5-11-27)37-16-7-17-38(19-18-37)32(40)25-8-6-9-26(33)21-25/h3-6,8-15,21H,7,16-20H2,1-2H3

InChI Key

VWXZJAJCOXSWEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857310

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

534.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.767

Distribution Coefficient, logD

5.665

Water Solubility, LogSw

-5.80

Polar Surface Area

54.481

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V018-7818 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with V018-7818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-7818?
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What is the minimum amount of V018-7818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-7818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-7818
  • 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 V018-7818 available by request