V005-7469 Screening compound: 1-{4-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(3-methoxyphenyl)urea

V005-7469 Screening compound: 1-{4-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(3-methoxyphenyl)urea
V005-7469 Screening compound: 1-{4-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(3-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-7469
1-{4-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-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

V005-7469

Molecular Formula

C26H27N5O5 (C26 H27 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

COCCOc(nc1-c(cc2)ccc2OC)nn1-c(cc1)ccc1NC(Nc1cc(OC)ccc1)=O

InChI

InChI=1S/C26H27N5O5/c1-33-15-16-36-26-29-24(18-7-13-22(34-2)14-8-18)31(30-26)21-11-9-19(10-12-21)27-25(32)28-20-5-4-6-23(17-20)35-3/h4-14,17H,15-16H2,1-3H3,(H2,27,28,32)

InChI Key

ITNSFIRKACQPJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784125

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.896

Distribution Coefficient, logD

4.896

Water Solubility, LogSw

-4.67

Polar Surface Area

86.841

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

V005-7469 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 V005-7469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-7469?
Check Price and Availability of V005-7469, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V005-7469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-7469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-7469
  • 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 V005-7469 available by request