V018-9731 Screening compound: cyclohexyl[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

V018-9731 Screening compound: cyclohexyl[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
V018-9731 Screening compound: cyclohexyl[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-9731
cyclohexyl[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

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

V018-9731

Molecular Formula

C27H36N6O (C27 H36 N6 O)

Compound Name

cyclohexyl[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

IUPAC name

1-cyclohexanecarbonyl-4-{3-methyl-1-phenyl-6-propyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-14-diazepane

SMILES

CCCc1nc(n(-c2ccccc2)nc2C)c2c(N(CCC2)CCN2C(C2CCCCC2)=O)n1

InChI

InChI=1S/C27H36N6O/c1-3-11-23-28-25(24-20(2)30-33(26(24)29-23)22-14-8-5-9-15-22)31-16-10-17-32(19-18-31)27(34)21-12-6-4-7-13-21/h5,8-9,14-15,21H,3-4,6-7,10-13,16-19H2,1-2H3

InChI Key

GIAJOXYPILHYAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853749

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

460.62

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

5.438

Distribution Coefficient, logD

4.994

Water Solubility, LogSw

-5.33

Polar Surface Area

54.945

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

References: we are preparing a list of scientific research reports with V018-9731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-9731?
Check Price and Availability of V018-9731, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V018-9731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-9731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-9731
  • 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 V018-9731 available by request