V020-2593 Screening compound: 1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-phenylpropan-1-one

V020-2593 Screening compound: 1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-phenylpropan-1-one
V020-2593 Screening compound: 1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-phenylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-2593
1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-phenylpropan-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

V020-2593

Molecular Formula

C29H33FN6O (C29 H33 FN6 O)

Compound Name

1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-phenylpropan-1-one

IUPAC name

1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepan-1-yl}-3-phenylpropan-1-one

SMILES

CCCc1nc(N(CCC2)CCN2C(CCc2ccccc2)=O)c(c(C)nn2-c(cc3)ccc3F)c2n1

InChI

InChI=1S/C29H33FN6O/c1-3-8-25-31-28(27-21(2)33-36(29(27)32-25)24-14-12-23(30)13-15-24)35-18-7-17-34(19-20-35)26(37)16-11-22-9-5-4-6-10-22/h4-6,9-10,12-15H,3,7-8,11,16-20H2,1-2H3

InChI Key

WWMKCVRFOBSNPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862360

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.552

Distribution Coefficient, logD

5.108

Water Solubility, LogSw

-5.59

Polar Surface Area

54.225

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.93

V020-2593 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V020-2593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-2593?
Check Price and Availability of V020-2593, 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 V020-2593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-2593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-2593
  • 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 V020-2593 available by request