V012-6772 Screening compound: 1-(3-methylbutyl)-4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

V012-6772 Screening compound: 1-(3-methylbutyl)-4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane
V012-6772 Screening compound: 1-(3-methylbutyl)-4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-6772
1-(3-methylbutyl)-4-[6-(pentan-2-yl)-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

V012-6772

Molecular Formula

C26H38N6 (C26 H38 N6)

Compound Name

1-(3-methylbutyl)-4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

IUPAC name

1-(3-methylbutyl)-4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepane

SMILES

CCCC(C)c1nc(n(-c2ccccc2)nc2)c2c(N2CCN(CCC(C)C)CCC2)n1

InChI

InChI=1S/C26H38N6/c1-5-10-21(4)24-28-25(31-15-9-14-30(17-18-31)16-13-20(2)3)23-19-27-32(26(23)29-24)22-11-7-6-8-12-22/h6-8,11-12,19-21H,5,9-10,13-18H2,1-4H3/t21-/m0/s1

InChI Key

WKVAOHMUUVXRLU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19859380

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

434.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.535

Distribution Coefficient, logD

5.515

Water Solubility, LogSw

-5.90

Polar Surface Area

40.743

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.70

V012-6772 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 V012-6772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-6772?
Check Price and Availability of V012-6772, 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 V012-6772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-6772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-6772
  • 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 V012-6772 available by request