V001-4597 Screening compound: 1-{3-[3-(2-methoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(4-methoxyphenyl)urea

V001-4597 Screening compound: 1-{3-[3-(2-methoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(4-methoxyphenyl)urea
V001-4597 Screening compound: 1-{3-[3-(2-methoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(4-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-4597
1-{3-[3-(2-methoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(4-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

V001-4597

Molecular Formula

C26H27N5O4 (C26 H27 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1nc(OCCOC)nn1-c1cccc(NC(Nc(cc2)ccc2OC)=O)c1

InChI

InChI=1S/C26H27N5O4/c1-18-7-9-19(10-8-18)24-29-26(35-16-15-33-2)30-31(24)22-6-4-5-21(17-22)28-25(32)27-20-11-13-23(34-3)14-12-20/h4-14,17H,15-16H2,1-3H3,(H2,27,28,32)

InChI Key

HUUYHWULFXLDSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19789498

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.484

Distribution Coefficient, logD

5.484

Water Solubility, LogSw

-5.41

Polar Surface Area

79.297

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

V001-4597 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V001-4597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-4597?
Check Price and Availability of V001-4597, 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 V001-4597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-4597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-4597
  • 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 V001-4597 available by request