V011-1191 Screening compound: 1-(4-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-ethylhexan-1-one

V011-1191 Screening compound: 1-(4-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-ethylhexan-1-one
V011-1191 Screening compound: 1-(4-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-ethylhexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-1191
1-(4-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-ethylhexan-1-one

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

V011-1191

Molecular Formula

C31H38N6O (C31 H38 N6 O)

Compound Name

1-(4-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-ethylhexan-1-one

IUPAC name

1-(4-{6-benzyl-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-14-diazepan-1-yl)-2-ethylhexan-1-one

SMILES

CCCCC(CC)C(N(CCC1)CCN1c1nc(Cc2ccccc2)nc2c1cnn2-c1ccccc1)=O

InChI

InChI=1S/C31H38N6O/c1-3-5-15-25(4-2)31(38)36-19-12-18-35(20-21-36)29-27-23-32-37(26-16-10-7-11-17-26)30(27)34-28(33-29)22-24-13-8-6-9-14-24/h6-11,13-14,16-17,23,25H,3-5,12,15,18-22H2,1-2H3/t25-/m0/s1

InChI Key

HVQQERNXUIFUHX-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19858855

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

510.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.017

Distribution Coefficient, logD

7.006

Water Solubility, LogSw

-5.75

Polar Surface Area

54.400

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.90

V011-1191 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V011-1191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-1191?
Check Price and Availability of V011-1191, 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 V011-1191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-1191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-1191
  • 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 V011-1191 available by request