V025-0730 Screening compound: 1-{4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one

V025-0730 Screening compound: 1-{4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one
V025-0730 Screening compound: 1-{4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-0730
1-{4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one

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

V025-0730

Molecular Formula

C22H28N6O (C22 H28 N6 O)

Compound Name

1-{4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one

IUPAC name

1-{4-[36-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepan-1-yl}propan-1-one

SMILES

CCC(N(CCC1)CCN1c1nc(C)nc2c1c(C)nn2-c1ccc(C)cc1)=O

InChI

InChI=1S/C22H28N6O/c1-5-19(29)26-11-6-12-27(14-13-26)21-20-16(3)25-28(22(20)24-17(4)23-21)18-9-7-15(2)8-10-18/h7-10H,5-6,11-14H2,1-4H3

InChI Key

LEUUSJGQFFAOAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14259746

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.456

Distribution Coefficient, logD

3.137

Water Solubility, LogSw

-3.71

Polar Surface Area

53.119

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with V025-0730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-0730?
Check Price and Availability of V025-0730, 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 V025-0730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-0730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-0730
  • 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 V025-0730 available by request