V016-7140 Screening compound: N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-fluoro-N-(prop-2-en-1-yl)benzamide

V016-7140 Screening compound: N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-fluoro-N-(prop-2-en-1-yl)benzamide
V016-7140 Screening compound: N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-fluoro-N-(prop-2-en-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-7140
N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-fluoro-N-(prop-2-en-1-yl)benzamide

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

V016-7140

Molecular Formula

C29H32FN5O4 (C29 H32 FN5 O4)

Compound Name

N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-fluoro-N-(prop-2-en-1-yl)benzamide

IUPAC name

N-(2-{4-[6-(24-dimethoxyphenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)-3-fluoro-N-(prop-2-en-1-yl)benzamide

SMILES

COc(cc1)cc(OC)c1-c(cc1)nnc1N(CCC1)CCN1C(CN(CC=C)C(c1cccc(F)c1)=O)=O

InChI

InChI=1S/C29H32FN5O4/c1-4-13-35(29(37)21-7-5-8-22(30)18-21)20-28(36)34-15-6-14-33(16-17-34)27-12-11-25(31-32-27)24-10-9-23(38-2)19-26(24)39-3/h4-5,7-12,18-19H,1,6,13-17,20H2,2-3H3

InChI Key

ZLDDROZGZBBFLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19835580

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

533.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.305

Distribution Coefficient, logD

3.300

Water Solubility, LogSw

-3.59

Polar Surface Area

72.521

Acid Dissociation Constant (pKa)

22.61

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

V016-7140 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V016-7140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-7140?
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What is the minimum amount of V016-7140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-7140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-7140
  • 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 V016-7140 available by request