V028-5591 Screening compound: 1-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(2,4-dimethylphenyl)urea

V028-5591 Screening compound: 1-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(2,4-dimethylphenyl)urea
V028-5591 Screening compound: 1-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(2,4-dimethylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5591
1-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(2,4-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

V028-5591

Molecular Formula

C26H28ClN5O2 (C26 H28 ClN5 O2)

Compound Name

1-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(2,4-dimethylphenyl)urea

IUPAC name

1-{6-[4-(3-chlorobenzoyl)-14-diazepan-1-yl]pyridin-3-yl}-3-(24-dimethylphenyl)urea

SMILES

Cc(cc1)cc(C)c1NC(Nc(cc1)cnc1N(CCC1)CCN1C(c1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C26H28ClN5O2/c1-18-7-9-23(19(2)15-18)30-26(34)29-22-8-10-24(28-17-22)31-11-4-12-32(14-13-31)25(33)20-5-3-6-21(27)16-20/h3,5-10,15-17H,4,11-14H2,1-2H3,(H2,29,30,34)

InChI Key

UJDAGFPWEUMBAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19911787

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

477.99

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

5.652

Distribution Coefficient, logD

5.652

Water Solubility, LogSw

-5.85

Polar Surface Area

60.684

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

V028-5591 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 V028-5591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5591?
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What is the minimum amount of V028-5591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5591
  • 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 V028-5591 available by request