V004-4815 Screening compound: 1-ethyl-1-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-propylurea

V004-4815 Screening compound: 1-ethyl-1-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-propylurea
V004-4815 Screening compound: 1-ethyl-1-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4815
1-ethyl-1-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-propylurea

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

V004-4815

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-propylurea

IUPAC name

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

SMILES

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

InChI

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

InChI Key

IMYHCGRJMZTPRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19978559

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

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.054

Distribution Coefficient, logD

3.052

Water Solubility, LogSw

-3.11

Polar Surface Area

67.349

Acid Dissociation Constant (pKa)

17.04

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

V004-4815 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 V004-4815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4815?
Check Price and Availability of V004-4815, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V004-4815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4815
  • 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 V004-4815 available by request