V030-5064 Screening compound: N-cyclohexyl-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

V030-5064 Screening compound: N-cyclohexyl-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
V030-5064 Screening compound: N-cyclohexyl-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5064
N-cyclohexyl-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

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

V030-5064

Molecular Formula

C31H42FN7O (C31 H42 FN7 O)

Compound Name

N-cyclohexyl-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

IUPAC name

N-cyclohexyl-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepane-1-carboxamide

SMILES

Cc(c1c(N(CCC2)CCN2C(NC2CCCCC2)=O)nc(CC2CCCCC2)nc11)nn1-c(cc1)ccc1F

InChI

InChI=1S/C31H42FN7O/c1-22-28-29(37-17-8-18-38(20-19-37)31(40)33-25-11-6-3-7-12-25)34-27(21-23-9-4-2-5-10-23)35-30(28)39(36-22)26-15-13-24(32)14-16-26/h13-16,23,25H,2-12,17-21H2,1H3,(H,33,40)

InChI Key

GJEDVQLMVOYYLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862943

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

547.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.011

Distribution Coefficient, logD

6.321

Water Solubility, LogSw

-5.97

Polar Surface Area

64.542

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.30

V030-5064 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GABA Library (7115 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V030-5064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5064?
Check Price and Availability of V030-5064, 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 V030-5064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5064
  • 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 V030-5064 available by request