V017-8397 Screening compound: 1-(2-methoxyethyl)-1-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-propylurea

V017-8397 Screening compound: 1-(2-methoxyethyl)-1-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-propylurea
V017-8397 Screening compound: 1-(2-methoxyethyl)-1-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-8397
1-(2-methoxyethyl)-1-(2-{4-[6-(3-methoxyphenyl)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

V017-8397

Molecular Formula

C25H36N6O4 (C25 H36 N6 O4)

Compound Name

1-(2-methoxyethyl)-1-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-propylurea

IUPAC name

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

SMILES

CCCNC(N(CCOC)CC(N(CCC1)CCN1c(cc1)nnc1-c1cc(OC)ccc1)=O)=O

InChI

InChI=1S/C25H36N6O4/c1-4-11-26-25(33)31(16-17-34-2)19-24(32)30-13-6-12-29(14-15-30)23-10-9-22(27-28-23)20-7-5-8-21(18-20)35-3/h5,7-10,18H,4,6,11-17,19H2,1-3H3,(H,26,33)

InChI Key

MZCTZGNINOCJCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19978555

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.523

Distribution Coefficient, logD

2.353

Water Solubility, LogSw

-2.90

Polar Surface Area

83.489

Acid Dissociation Constant (pKa)

17.04

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

V017-8397 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 V017-8397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-8397?
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What is the minimum amount of V017-8397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-8397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-8397
  • 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 V017-8397 available by request