V021-1788 Screening compound: N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-ethyl-2-fluorobenzamide

V021-1788 Screening compound: N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-ethyl-2-fluorobenzamide
V021-1788 Screening compound: N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-ethyl-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1788
N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-ethyl-2-fluorobenzamide

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

V021-1788

Molecular Formula

C26H27ClFN5O2 (C26 H27 ClFN5 O2)

Compound Name

N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-ethyl-2-fluorobenzamide

IUPAC name

N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)-N-ethyl-2-fluorobenzamide

SMILES

CCN(CC(N(CCC1)CCN1c(cc1)nnc1-c(cccc1)c1Cl)=O)C(c(cccc1)c1F)=O

InChI

InChI=1S/C26H27ClFN5O2/c1-2-31(26(35)20-9-4-6-11-22(20)28)18-25(34)33-15-7-14-32(16-17-33)24-13-12-23(29-30-24)19-8-3-5-10-21(19)27/h3-6,8-13H,2,7,14-18H2,1H3

InChI Key

BFGYZZULNGEJGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19831360

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.681

Distribution Coefficient, logD

3.675

Water Solubility, LogSw

-4.13

Polar Surface Area

57.093

Acid Dissociation Constant (pKa)

22.81

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V021-1788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1788?
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What is the minimum amount of V021-1788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1788
  • 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 V021-1788 available by request