V028-0597 Screening compound: 3-ethyl-1-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-1-[2-(morpholin-4-yl)ethyl]urea

V028-0597 Screening compound: 3-ethyl-1-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-1-[2-(morpholin-4-yl)ethyl]urea
V028-0597 Screening compound: 3-ethyl-1-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-1-[2-(morpholin-4-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0597
3-ethyl-1-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-1-[2-(morpholin-4-yl)ethyl]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

V028-0597

Molecular Formula

C27H39N7O3 (C27 H39 N7 O3)

Compound Name

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

IUPAC name

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

SMILES

CCNC(N(CCN1CCOCC1)CC(N(CCC1)CCN1c(cc1)nnc1-c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C27H39N7O3/c1-3-28-27(36)34(14-13-31-17-19-37-20-18-31)21-26(35)33-12-4-11-32(15-16-33)25-10-9-24(29-30-25)23-7-5-22(2)6-8-23/h5-10H,3-4,11-21H2,1-2H3,(H,28,36)

InChI Key

MXMLRHCLCNRGLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19832582

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

509.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.949

Distribution Coefficient, logD

1.198

Water Solubility, LogSw

-2.41

Polar Surface Area

79.006

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

V028-0597 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V028-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0597?
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What is the minimum amount of V028-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0597
  • 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 V028-0597 available by request