V012-6798 Screening compound: 1-(4-butoxybenzoyl)-4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

V012-6798 Screening compound: 1-(4-butoxybenzoyl)-4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane
V012-6798 Screening compound: 1-(4-butoxybenzoyl)-4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-6798
1-(4-butoxybenzoyl)-4-[6-(pentan-2-yl)-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

V012-6798

Molecular Formula

C32H40N6O2 (C32 H40 N6 O2)

Compound Name

1-(4-butoxybenzoyl)-4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

IUPAC name

1-(4-butoxybenzoyl)-4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepane

SMILES

CCCCOc(cc1)ccc1C(N(CCC1)CCN1c1nc(C(C)CCC)nc2c1cnn2-c1ccccc1)=O

InChI

InChI=1S/C32H40N6O2/c1-4-6-22-40-27-16-14-25(15-17-27)32(39)37-19-10-18-36(20-21-37)30-28-23-33-38(26-12-8-7-9-13-26)31(28)35-29(34-30)24(3)11-5-2/h7-9,12-17,23-24H,4-6,10-11,18-22H2,1-3H3/t24-/m0/s1

InChI Key

VRHPAWKEACXNQM-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19859219

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

540.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.271

Distribution Coefficient, logD

7.160

Water Solubility, LogSw

-5.79

Polar Surface Area

60.827

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

V012-6798 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V012-6798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-6798?
Check Price and Availability of V012-6798, 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 V012-6798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-6798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-6798
  • 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 V012-6798 available by request