V001-4989 Screening compound: 1-({4-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}amino)-3-(2-methylpropoxy)propan-2-ol

V001-4989 Screening compound: 1-({4-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}amino)-3-(2-methylpropoxy)propan-2-ol
V001-4989 Screening compound: 1-({4-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}amino)-3-(2-methylpropoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-4989
1-({4-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}amino)-3-(2-methylpropoxy)propan-2-ol

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

V001-4989

Molecular Formula

C26H36N4O4 (C26 H36 N4 O4)

Compound Name

1-({4-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}amino)-3-(2-methylpropoxy)propan-2-ol

IUPAC name

1-({4-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1H-124-triazol-1-yl]phenyl}amino)-3-(2-methylpropoxy)propan-2-ol

SMILES

CCOCCOc(nc1-c2ccc(C)cc2)nn1-c(cc1)ccc1NCC(COCC(C)C)O

InChI

InChI=1S/C26H36N4O4/c1-5-32-14-15-34-26-28-25(21-8-6-20(4)7-9-21)30(29-26)23-12-10-22(11-13-23)27-16-24(31)18-33-17-19(2)3/h6-13,19,24,27,31H,5,14-18H2,1-4H3/t24-/m0/s1

InChI Key

TWEHQYVTPYYGGI-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19869016

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.705

Distribution Coefficient, logD

4.705

Water Solubility, LogSw

-4.26

Polar Surface Area

74.645

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

References: we are preparing a list of scientific research reports with V001-4989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-4989?
Check Price and Availability of V001-4989, 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 V001-4989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-4989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-4989
  • 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 V001-4989 available by request