V026-5349 Screening compound: 1-[4-({6-cyclohexyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)cyclohexyl]-3-ethylurea

V026-5349 Screening compound: 1-[4-({6-cyclohexyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)cyclohexyl]-3-ethylurea
V026-5349 Screening compound: 1-[4-({6-cyclohexyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)cyclohexyl]-3-ethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5349
1-[4-({6-cyclohexyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)cyclohexyl]-3-ethylurea

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

V026-5349

Molecular Formula

C27H37N7O (C27 H37 N7 O)

Compound Name

1-[4-({6-cyclohexyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)cyclohexyl]-3-ethylurea

IUPAC name

1-[4-({6-cyclohexyl-3-methyl-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}amino)cyclohexyl]-3-ethylurea

SMILES

CCNC(NC(CC1)CCC1Nc1nc(C2CCCCC2)nc2c1c(C)nn2-c1ccccc1)=O

InChI

InChI=1S/C27H37N7O/c1-3-28-27(35)30-21-16-14-20(15-17-21)29-25-23-18(2)33-34(22-12-8-5-9-13-22)26(23)32-24(31-25)19-10-6-4-7-11-19/h5,8-9,12-13,19-21H,3-4,6-7,10-11,14-17H2,1-2H3,(H2,28,30,35)(H,29,31,32)

InChI Key

YGVKVVDRLPLOGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14254740

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

475.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.973

Distribution Coefficient, logD

4.763

Water Solubility, LogSw

-4.72

Polar Surface Area

78.488

Acid Dissociation Constant (pKa)

16.78

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

V026-5349 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V026-5349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5349?
Check Price and Availability of V026-5349, 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 V026-5349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5349
  • 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 V026-5349 available by request