V010-0558 Screening compound: 1-[(2-chlorophenyl)methyl]-4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

V010-0558 Screening compound: 1-[(2-chlorophenyl)methyl]-4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane
V010-0558 Screening compound: 1-[(2-chlorophenyl)methyl]-4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0558
1-[(2-chlorophenyl)methyl]-4-[3-methyl-6-(2-methylpropyl)-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

V010-0558

Molecular Formula

C28H33ClN6 (C28 H33 ClN6)

Compound Name

1-[(2-chlorophenyl)methyl]-4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

IUPAC name

1-[(2-chlorophenyl)methyl]-4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepane

SMILES

CC(C)Cc1nc(n(-c2ccccc2)nc2C)c2c(N2CCN(Cc(cccc3)c3Cl)CCC2)n1

InChI

InChI=1S/C28H33ClN6/c1-20(2)18-25-30-27(26-21(3)32-35(28(26)31-25)23-11-5-4-6-12-23)34-15-9-14-33(16-17-34)19-22-10-7-8-13-24(22)29/h4-8,10-13,20H,9,14-19H2,1-3H3

InChI Key

LALNLZXDBUDVJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19858074

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.06

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.285

Distribution Coefficient, logD

5.766

Water Solubility, LogSw

-6.34

Polar Surface Area

41.837

Acid Dissociation Constant (pKa)

21.16

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.29

V010-0558 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 V010-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0558?
Check Price and Availability of V010-0558, 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 V010-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0558
  • 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 V010-0558 available by request