V028-5065 Screening compound: 1-ethyl-1-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)urea

V028-5065 Screening compound: 1-ethyl-1-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)urea
V028-5065 Screening compound: 1-ethyl-1-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5065
1-ethyl-1-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)urea

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

V028-5065

Molecular Formula

C23H31FN6O2 (C23 H31 FN6 O2)

Compound Name

1-ethyl-1-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)urea

IUPAC name

1-ethyl-1-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)-3-(propan-2-yl)urea

SMILES

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

InChI

InChI=1S/C23H31FN6O2/c1-4-28(23(32)25-17(2)3)16-22(31)30-13-5-12-29(14-15-30)21-11-10-20(26-27-21)18-6-8-19(24)9-7-18/h6-11,17H,4-5,12-16H2,1-3H3,(H,25,32)

InChI Key

WDBREXXBPJEVIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19834166

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.936

Distribution Coefficient, logD

2.934

Water Solubility, LogSw

-3.27

Polar Surface Area

66.482

Acid Dissociation Constant (pKa)

16.86

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

V028-5065 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V028-5065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5065?
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What is the minimum amount of V028-5065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5065
  • 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 V028-5065 available by request