V024-8781 Screening compound: 1-{3-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(2-methylphenyl)urea

V024-8781 Screening compound: 1-{3-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(2-methylphenyl)urea
V024-8781 Screening compound: 1-{3-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(2-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-8781
1-{3-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(2-methylphenyl)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

V024-8781

Molecular Formula

C27H29N5O4 (C27 H29 N5 O4)

Compound Name

1-{3-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(2-methylphenyl)urea

IUPAC name

1-{3-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-124-triazol-1-yl]phenyl}-3-(2-methylphenyl)urea

SMILES

CCOCCOc(nc1-c(cc2)ccc2OC)nn1-c1cccc(NC(Nc2c(C)cccc2)=O)c1

InChI

InChI=1S/C27H29N5O4/c1-4-35-16-17-36-27-30-25(20-12-14-23(34-3)15-13-20)32(31-27)22-10-7-9-21(18-22)28-26(33)29-24-11-6-5-8-19(24)2/h5-15,18H,4,16-17H2,1-3H3,(H2,28,29,33)

InChI Key

BMEGZAHNNJQPRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19779714

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

487.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.515

Distribution Coefficient, logD

5.515

Water Solubility, LogSw

-5.46

Polar Surface Area

78.234

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V024-8781 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 V024-8781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-8781?
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What is the minimum amount of V024-8781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-8781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-8781
  • 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 V024-8781 available by request