V012-0347 Screening compound: 1-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(3-nitrobenzoyl)-1,4-diazepane

V012-0347 Screening compound: 1-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(3-nitrobenzoyl)-1,4-diazepane
V012-0347 Screening compound: 1-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(3-nitrobenzoyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0347
1-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(3-nitrobenzoyl)-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

V012-0347

Molecular Formula

C30H27N7O3 (C30 H27 N7 O3)

Compound Name

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

IUPAC name

1-{6-benzyl-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-4-(3-nitrobenzoyl)-14-diazepane

SMILES

[O-][N+](c1cc(C(N(CCC2)CCN2c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)=O)ccc1)=O

InChI

InChI=1S/C30H27N7O3/c38-30(23-11-7-14-25(20-23)37(39)40)35-16-8-15-34(17-18-35)28-26-21-31-36(24-12-5-2-6-13-24)29(26)33-27(32-28)19-22-9-3-1-4-10-22/h1-7,9-14,20-21H,8,15-19H2

InChI Key

DOSOLVPDEGNMIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19858842

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

533.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.372

Distribution Coefficient, logD

5.361

Water Solubility, LogSw

-5.75

Polar Surface Area

87.510

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with V012-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0347?
Check Price and Availability of V012-0347, 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 V012-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0347
  • 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 V012-0347 available by request