V024-4132 Screening compound: N-(6-{4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl}-3-pyridyl)-N'-(2,6-dimethylphenyl)urea

V024-4132 Screening compound: N-(6-{4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl}-3-pyridyl)-N'-(2,6-dimethylphenyl)urea
V024-4132 Screening compound: N-(6-{4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl}-3-pyridyl)-N'-(2,6-dimethylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-4132
N-(6-{4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl}-3-pyridyl)-N'-(2,6-dimethylphenyl)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

V024-4132

Molecular Formula

C27H30ClN5O3 (C27 H30 ClN5 O3)

Compound Name

N-(6-{4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl}-3-pyridyl)-N'-(2,6-dimethylphenyl)urea

IUPAC name

3-(6-{4-[2-(4-chlorophenoxy)acetyl]-14-diazepan-1-yl}pyridin-3-yl)-1-(26-dimethylphenyl)urea

SMILES

Cc1cccc(C)c1NC(Nc(cc1)cnc1N(CCC1)CCN1C(COc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C27H30ClN5O3/c1-19-5-3-6-20(2)26(19)31-27(35)30-22-9-12-24(29-17-22)32-13-4-14-33(16-15-32)25(34)18-36-23-10-7-21(28)8-11-23/h3,5-12,17H,4,13-16,18H2,1-2H3,(H2,30,31,35)

InChI Key

JYZOXAXGBXNZHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19911830

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

508.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.118

Distribution Coefficient, logD

5.118

Water Solubility, LogSw

-5.46

Polar Surface Area

66.958

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

8.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.63

V024-4132 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V024-4132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-4132?
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What is the minimum amount of V024-4132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-4132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-4132
  • 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 V024-4132 available by request