V010-1628 Screening compound: 1-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[(4-methoxyphenyl)methyl]-1,4-diazepane

V010-1628 Screening compound: 1-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[(4-methoxyphenyl)methyl]-1,4-diazepane
V010-1628 Screening compound: 1-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[(4-methoxyphenyl)methyl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-1628
1-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[(4-methoxyphenyl)methyl]-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

V010-1628

Molecular Formula

C31H32N6O (C31 H32 N6 O)

Compound Name

1-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[(4-methoxyphenyl)methyl]-1,4-diazepane

IUPAC name

1-{6-benzyl-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-4-[(4-methoxyphenyl)methyl]-14-diazepane

SMILES

COc1ccc(CN(CCC2)CCN2c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)cc1

InChI

InChI=1S/C31H32N6O/c1-38-27-15-13-25(14-16-27)23-35-17-8-18-36(20-19-35)30-28-22-32-37(26-11-6-3-7-12-26)31(28)34-29(33-30)21-24-9-4-2-5-10-24/h2-7,9-16,22H,8,17-21,23H2,1H3

InChI Key

MZKHRDVQOCPUDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19859016

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

504.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.023

Distribution Coefficient, logD

5.863

Water Solubility, LogSw

-5.55

Polar Surface Area

48.756

Acid Dissociation Constant (pKa)

21.16

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

V010-1628 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V010-1628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-1628?
Check Price and Availability of V010-1628, 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 V010-1628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-1628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-1628
  • 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 V010-1628 available by request