V003-5069 Screening compound: N-benzyl-3-fluoro-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide

V003-5069 Screening compound: N-benzyl-3-fluoro-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide
V003-5069 Screening compound: N-benzyl-3-fluoro-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5069
N-benzyl-3-fluoro-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)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

V003-5069

Molecular Formula

C32H32FN5O3 (C32 H32 FN5 O3)

Compound Name

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

IUPAC name

N-benzyl-3-fluoro-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)benzamide

SMILES

COc(cc1)ccc1-c(cc1)nnc1N(CCC1)CCN1C(CN(Cc1ccccc1)C(c1cccc(F)c1)=O)=O

InChI

InChI=1S/C32H32FN5O3/c1-41-28-13-11-25(12-14-28)29-15-16-30(35-34-29)36-17-6-18-37(20-19-36)31(39)23-38(22-24-7-3-2-4-8-24)32(40)26-9-5-10-27(33)21-26/h2-5,7-16,21H,6,17-20,22-23H2,1H3

InChI Key

YSEQXNHNFXKRKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19828708

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

553.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.346

Distribution Coefficient, logD

4.342

Water Solubility, LogSw

-4.36

Polar Surface Area

64.640

Acid Dissociation Constant (pKa)

22.27

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V003-5069 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V003-5069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5069?
Check Price and Availability of V003-5069, 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 V003-5069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5069
  • 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 V003-5069 available by request