V021-1776 Screening compound: N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-ethylcyclopropanecarboxamide

V021-1776 Screening compound: N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-ethylcyclopropanecarboxamide
V021-1776 Screening compound: N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-ethylcyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1776
N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-ethylcyclopropanecarboxamide

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

V021-1776

Molecular Formula

C23H28ClN5O2 (C23 H28 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC(N(CCC1)CCN1c(cc1)nnc1-c(cccc1)c1Cl)=O)C(C1CC1)=O

InChI

InChI=1S/C23H28ClN5O2/c1-2-27(23(31)17-8-9-17)16-22(30)29-13-5-12-28(14-15-29)21-11-10-20(25-26-21)18-6-3-4-7-19(18)24/h3-4,6-7,10-11,17H,2,5,8-9,12-16H2,1H3

InChI Key

GRKHKDOMHYHNAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19836901

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

441.96

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

2.966

Distribution Coefficient, logD

2.960

Water Solubility, LogSw

-3.60

Polar Surface Area

57.616

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with V021-1776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1776?
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What is the minimum amount of V021-1776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1776
  • 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 V021-1776 available by request