V021-8002 Screening compound: 4-fluoro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-methoxyethyl)benzamide

V021-8002 Screening compound: 4-fluoro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-methoxyethyl)benzamide
V021-8002 Screening compound: 4-fluoro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-8002
4-fluoro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-methoxyethyl)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

V021-8002

Molecular Formula

C27H29F2N5O3 (C27 H29 F2 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

COCCN(CC(N(CCC1)CCN1c(cc1)nnc1-c(cc1)ccc1F)=O)C(c(cc1)ccc1F)=O

InChI

InChI=1S/C27H29F2N5O3/c1-37-18-17-34(27(36)21-5-9-23(29)10-6-21)19-26(35)33-14-2-13-32(15-16-33)25-12-11-24(30-31-25)20-3-7-22(28)8-4-20/h3-12H,2,13-19H2,1H3

InChI Key

PLTVMDUDLNPNGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19831229

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

509.56

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

2.924

Distribution Coefficient, logD

2.922

Water Solubility, LogSw

-3.07

Polar Surface Area

65.689

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with V021-8002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-8002?
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What is the minimum amount of V021-8002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-8002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-8002
  • 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 V021-8002 available by request