V005-0685 Screening compound: N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-fluoro-N-[(4-fluorophenyl)methyl]benzamide

V005-0685 Screening compound: N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-fluoro-N-[(4-fluorophenyl)methyl]benzamide
V005-0685 Screening compound: N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-fluoro-N-[(4-fluorophenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-0685
N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-fluoro-N-[(4-fluorophenyl)methyl]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

V005-0685

Molecular Formula

C33H33F2N5O4 (C33 H33 F2 N5 O4)

Compound Name

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

IUPAC name

N-(2-{4-[6-(34-dimethoxyphenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)-3-fluoro-N-[(4-fluorophenyl)methyl]benzamide

SMILES

COc(ccc(-c(cc1)nnc1N(CCC1)CCN1C(CN(Cc(cc1)ccc1F)C(c1cccc(F)c1)=O)=O)c1)c1OC

InChI

InChI=1S/C33H33F2N5O4/c1-43-29-13-9-24(20-30(29)44-2)28-12-14-31(37-36-28)38-15-4-16-39(18-17-38)32(41)22-40(21-23-7-10-26(34)11-8-23)33(42)25-5-3-6-27(35)19-25/h3,5-14,19-20H,4,15-18,21-22H2,1-2H3

InChI Key

XTAMXBUOFDMDLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19835554

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

601.65

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

3.893

Distribution Coefficient, logD

3.780

Water Solubility, LogSw

-4.02

Polar Surface Area

72.357

Acid Dissociation Constant (pKa)

22.27

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V005-0685 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 V005-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-0685?
Check Price and Availability of V005-0685, 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 V005-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-0685
  • 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 V005-0685 available by request