V027-4580 Screening compound: 3-(2,4-difluorophenyl)-1-{3-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}urea

V027-4580 Screening compound: 3-(2,4-difluorophenyl)-1-{3-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}urea
V027-4580 Screening compound: 3-(2,4-difluorophenyl)-1-{3-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4580
3-(2,4-difluorophenyl)-1-{3-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}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

V027-4580

Molecular Formula

C26H25F2N5O4 (C26 H25 F2 N5 O4)

Compound Name

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

IUPAC name

3-(24-difluorophenyl)-1-{3-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-124-triazol-1-yl]phenyl}urea

SMILES

CCOCCOc(nc1-c(cc2)ccc2OC)nn1-c1cccc(NC(Nc(ccc(F)c2)c2F)=O)c1

InChI

InChI=1S/C26H25F2N5O4/c1-3-36-13-14-37-26-31-24(17-7-10-21(35-2)11-8-17)33(32-26)20-6-4-5-19(16-20)29-25(34)30-23-12-9-18(27)15-22(23)28/h4-12,15-16H,3,13-14H2,1-2H3,(H2,29,30,34)

InChI Key

YBVJDWPCXCSUAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19789490

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

509.51

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

5.636

Distribution Coefficient, logD

5.634

Water Solubility, LogSw

-5.44

Polar Surface Area

78.234

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

V027-4580 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 V027-4580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4580?
Check Price and Availability of V027-4580, 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 V027-4580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4580
  • 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 V027-4580 available by request