V028-9724 Screening compound: 1-(2,4-difluorophenyl)-3-(6-{4-[(furan-2-yl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)urea

V028-9724 Screening compound: 1-(2,4-difluorophenyl)-3-(6-{4-[(furan-2-yl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)urea
V028-9724 Screening compound: 1-(2,4-difluorophenyl)-3-(6-{4-[(furan-2-yl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-9724
1-(2,4-difluorophenyl)-3-(6-{4-[(furan-2-yl)methyl]-1,4-diazepan-1-yl}pyridin-3-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

V028-9724

Molecular Formula

C22H23F2N5O2 (C22 H23 F2 N5 O2)

Compound Name

1-(2,4-difluorophenyl)-3-(6-{4-[(furan-2-yl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)urea

IUPAC name

1-(24-difluorophenyl)-3-(6-{4-[(furan-2-yl)methyl]-14-diazepan-1-yl}pyridin-3-yl)urea

SMILES

O=C(Nc(cc1)cnc1N1CCN(Cc2ccco2)CCC1)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C22H23F2N5O2/c23-16-4-6-20(19(24)13-16)27-22(30)26-17-5-7-21(25-14-17)29-9-2-8-28(10-11-29)15-18-3-1-12-31-18/h1,3-7,12-14H,2,8-11,15H2,(H2,26,27,30)

InChI Key

QMDNYYNBTONEDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912405

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

427.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.445

Distribution Coefficient, logD

4.375

Water Solubility, LogSw

-4.13

Polar Surface Area

55.517

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

V028-9724 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V028-9724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-9724?
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What is the minimum amount of V028-9724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-9724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-9724
  • 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 V028-9724 available by request