V019-8380 Screening compound: 1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(4-methoxyphenyl)-1-ethanone

V019-8380 Screening compound: 1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(4-methoxyphenyl)-1-ethanone
V019-8380 Screening compound: 1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(4-methoxyphenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-8380
1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(4-methoxyphenyl)-1-ethanone

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

V019-8380

Molecular Formula

C29H33FN6O2 (C29 H33 FN6 O2)

Compound Name

1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(4-methoxyphenyl)-1-ethanone

IUPAC name

1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepan-1-yl}-2-(4-methoxyphenyl)ethan-1-one

SMILES

CCCc1nc(N(CCC2)CCN2C(Cc(cc2)ccc2OC)=O)c(c(C)nn2-c(cc3)ccc3F)c2n1

InChI

InChI=1S/C29H33FN6O2/c1-4-6-25-31-28(27-20(2)33-36(29(27)32-25)23-11-9-22(30)10-12-23)35-16-5-15-34(17-18-35)26(37)19-21-7-13-24(38-3)14-8-21/h7-14H,4-6,15-19H2,1-3H3

InChI Key

MAFWCBBLCJCTPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862361

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.226

Distribution Coefficient, logD

4.782

Water Solubility, LogSw

-5.23

Polar Surface Area

61.769

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.93

V019-8380 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V019-8380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-8380?
Check Price and Availability of V019-8380, 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 V019-8380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-8380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-8380
  • 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 V019-8380 available by request