V018-6761 Screening compound: 1-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-(3-methoxyphenyl)urea

V018-6761 Screening compound: 1-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-(3-methoxyphenyl)urea
V018-6761 Screening compound: 1-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-(3-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-6761
1-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-(3-methoxyphenyl)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

V018-6761

Molecular Formula

C26H26ClFN4O3 (C26 H26 ClFN4 O3)

Compound Name

1-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-(3-methoxyphenyl)urea

IUPAC name

1-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-13-diazinan-1-yl}-5-methylphenyl)-3-(3-methoxyphenyl)urea

SMILES

Cc(cc1)cc(NC(Nc2cc(OC)ccc2)=O)c1N(CCCN1Cc(cc(cc2)F)c2Cl)C1=O

InChI

InChI=1S/C26H26ClFN4O3/c1-17-7-10-24(23(13-17)30-25(33)29-20-5-3-6-21(15-20)35-2)32-12-4-11-31(26(32)34)16-18-14-19(28)8-9-22(18)27/h3,5-10,13-15H,4,11-12,16H2,1-2H3,(H2,29,30,33)

InChI Key

IXJRUXVBFGHKNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.118

Distribution Coefficient, logD

6.118

Water Solubility, LogSw

-6.12

Polar Surface Area

58.645

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V018-6761 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V018-6761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-6761?
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What is the minimum amount of V018-6761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-6761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-6761
  • 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 V018-6761 available by request