V012-6879 Screening compound: 1-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-(3-methoxyphenyl)urea

V012-6879 Screening compound: 1-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-(3-methoxyphenyl)urea
V012-6879 Screening compound: 1-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-(3-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-6879
1-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-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

V012-6879

Molecular Formula

C27H27N5O5 (C27 H27 N5 O5)

Compound Name

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

IUPAC name

1-{4-[5-(2H-13-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-124-triazol-1-yl]phenyl}-3-(3-methoxyphenyl)urea

SMILES

CC(C)COc(nc1-c(cc2)cc3c2OCO3)nn1-c(cc1)ccc1NC(Nc1cc(OC)ccc1)=O

InChI

InChI=1S/C27H27N5O5/c1-17(2)15-35-27-30-25(18-7-12-23-24(13-18)37-16-36-23)32(31-27)21-10-8-19(9-11-21)28-26(33)29-20-5-4-6-22(14-20)34-3/h4-14,17H,15-16H2,1-3H3,(H2,28,29,33)

InChI Key

NGFDBRGVULUGDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19779485

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

501.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.666

Distribution Coefficient, logD

6.666

Water Solubility, LogSw

-5.70

Polar Surface Area

88.151

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V012-6879 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 V012-6879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-6879?
Check Price and Availability of V012-6879, 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 V012-6879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-6879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-6879
  • 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 V012-6879 available by request