V008-0602 Screening compound: N-{4-[3-isopropoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2-(4-methoxyphenyl)acetamide

V008-0602 Screening compound: N-{4-[3-isopropoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2-(4-methoxyphenyl)acetamide
V008-0602 Screening compound: N-{4-[3-isopropoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0602
N-{4-[3-isopropoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2-(4-methoxyphenyl)acetamide

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

V008-0602

Molecular Formula

C27H28N4O3 (C27 H28 N4 O3)

Compound Name

N-{4-[3-isopropoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2-(4-methoxyphenyl)acetamide

IUPAC name

2-(4-methoxyphenyl)-N-{4-[5-(2-methylphenyl)-3-(propan-2-yloxy)-1H-124-triazol-1-yl]phenyl}acetamide

SMILES

CC(C)Oc(nc1-c2c(C)cccc2)nn1-c(cc1)ccc1NC(Cc(cc1)ccc1OC)=O

InChI

InChI=1S/C27H28N4O3/c1-18(2)34-27-29-26(24-8-6-5-7-19(24)3)31(30-27)22-13-11-21(12-14-22)28-25(32)17-20-9-15-23(33-4)16-10-20/h5-16,18H,17H2,1-4H3,(H,28,32)

InChI Key

WXPJAOHQRWVPSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19758071

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

456.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.418

Distribution Coefficient, logD

5.418

Water Solubility, LogSw

-5.38

Polar Surface Area

60.914

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with V008-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0602?
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What is the minimum amount of V008-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0602
  • 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 V008-0602 available by request