V018-5833 Screening compound: 1-({4-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}amino)-3-(2-methylpropoxy)propan-2-ol

V018-5833 Screening compound: 1-({4-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}amino)-3-(2-methylpropoxy)propan-2-ol
V018-5833 Screening compound: 1-({4-[3-(2-ethoxyethoxy)-5-(2-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 V018-5833
1-({4-[3-(2-ethoxyethoxy)-5-(2-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

V018-5833

Molecular Formula

C26H36N4O4 (C26 H36 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOCCOc(nc1-c2c(C)cccc2)nn1-c(cc1)ccc1NCC(COCC(C)C)O

InChI

InChI=1S/C26H36N4O4/c1-5-32-14-15-34-26-28-25(24-9-7-6-8-20(24)4)30(29-26)22-12-10-21(11-13-22)27-16-23(31)18-33-17-19(2)3/h6-13,19,23,27,31H,5,14-18H2,1-4H3/t23-/m0/s1

InChI Key

XYOHZESCCWCDEG-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19869039

Chemical and Physical Properties

Saltdata

n/a

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

4.365

Distribution Coefficient, logD

4.365

Water Solubility, LogSw

-4.27

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

46.20

References: we are preparing a list of scientific research reports with V018-5833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5833?
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What is the minimum amount of V018-5833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5833
  • 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 V018-5833 available by request