V026-4114 Screening compound: N-(4-{[1-(3-CHLOROPHENYL)-6-CYCLOPROPYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]AMINO}CYCLOHEXYL)-N'-ISOPROPYLUREA

V026-4114 Screening compound: N-(4-{[1-(3-CHLOROPHENYL)-6-CYCLOPROPYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]AMINO}CYCLOHEXYL)-N'-ISOPROPYLUREA
V026-4114 Screening compound: N-(4-{[1-(3-CHLOROPHENYL)-6-CYCLOPROPYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]AMINO}CYCLOHEXYL)-N'-ISOPROPYLUREA alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-4114
N-(4-{[1-(3-CHLOROPHENYL)-6-CYCLOPROPYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]AMINO}CYCLOHEXYL)-N'-ISOPROPYLUREA

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

V026-4114

Molecular Formula

C24H30ClN7O (C24 H30 ClN7 O)

Compound Name

N-(4-{[1-(3-CHLOROPHENYL)-6-CYCLOPROPYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]AMINO}CYCLOHEXYL)-N'-ISOPROPYLUREA

IUPAC name

1-(4-{[1-(3-chlorophenyl)-6-cyclopropyl-1H-pyrazolo[34-d]pyrimidin-4-yl]amino}cyclohexyl)-3-(propan-2-yl)urea

SMILES

CC(C)NC(NC(CC1)CCC1Nc1c(cnn2-c3cccc(Cl)c3)c2nc(C2CC2)n1)=O

InChI

InChI=1S/C24H30ClN7O/c1-14(2)27-24(33)29-18-10-8-17(9-11-18)28-22-20-13-26-32(19-5-3-4-16(25)12-19)23(20)31-21(30-22)15-6-7-15/h3-5,12-15,17-18H,6-11H2,1-2H3,(H2,27,29,33)(H,28,30,31)

InChI Key

NFWAJCJDPZNASH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14254738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468

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

5.134

Distribution Coefficient, logD

4.875

Water Solubility, LogSw

-5.51

Polar Surface Area

77.814

Acid Dissociation Constant (pKa)

17.08

Base Dissociation Constant (pKb)

7.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V026-4114 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V026-4114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-4114?
Check Price and Availability of V026-4114, 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 V026-4114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-4114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-4114
  • 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 V026-4114 available by request