V030-5075 Screening compound: 1-(3-chlorobenzoyl)-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

V030-5075 Screening compound: 1-(3-chlorobenzoyl)-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane
V030-5075 Screening compound: 1-(3-chlorobenzoyl)-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5075
1-(3-chlorobenzoyl)-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-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

V030-5075

Molecular Formula

C31H34ClFN6O (C31 H34 ClFN6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c2nc(CC3CCCCC3)nc1N(CCC1)CCN1C(c1cccc(Cl)c1)=O)nn2-c(cc1)ccc1F

InChI

InChI=1S/C31H34ClFN6O/c1-21-28-29(37-15-6-16-38(18-17-37)31(40)23-9-5-10-24(32)20-23)34-27(19-22-7-3-2-4-8-22)35-30(28)39(36-21)26-13-11-25(33)12-14-26/h5,9-14,20,22H,2-4,6-8,15-19H2,1H3

InChI Key

XXBBRHLESXERGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862621

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

561.1

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

6.903

Distribution Coefficient, logD

6.213

Water Solubility, LogSw

-6.50

Polar Surface Area

54.673

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

V030-5075 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V030-5075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5075?
Check Price and Availability of V030-5075, 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 V030-5075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5075
  • 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 V030-5075 available by request