V019-1314 Screening compound: 3-cyclopentyl-1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one

V019-1314 Screening compound: 3-cyclopentyl-1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one
V019-1314 Screening compound: 3-cyclopentyl-1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-1314
3-cyclopentyl-1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-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

V019-1314

Molecular Formula

C29H40N6O (C29 H40 N6 O)

Compound Name

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

IUPAC name

3-cyclopentyl-1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepan-1-yl}propan-1-one

SMILES

CCCC(C)c1nc(n(-c2ccccc2)nc2)c2c(N(CCC2)CCN2C(CCC2CCCC2)=O)n1

InChI

InChI=1S/C29H40N6O/c1-3-10-22(2)27-31-28(25-21-30-35(29(25)32-27)24-13-5-4-6-14-24)34-18-9-17-33(19-20-34)26(36)16-15-23-11-7-8-12-23/h4-6,13-14,21-23H,3,7-12,15-20H2,1-2H3/t22-/m0/s1

InChI Key

QPEOMCGTOXWKPP-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19859199

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.417

Distribution Coefficient, logD

6.305

Water Solubility, LogSw

-5.74

Polar Surface Area

53.440

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.60

V019-1314 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 V019-1314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-1314?
Check Price and Availability of V019-1314, 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 V019-1314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-1314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-1314
  • 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 V019-1314 available by request