V008-0608 Screening compound: N-{4-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3,5-dimethoxybenzamide

V008-0608 Screening compound: N-{4-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3,5-dimethoxybenzamide
V008-0608 Screening compound: N-{4-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0608
N-{4-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3,5-dimethoxybenzamide

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

V008-0608

Molecular Formula

C27H26Cl2N4O4 (C27 H26 Cl2 N4 O4)

Compound Name

N-{4-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3,5-dimethoxybenzamide

IUPAC name

N-{4-[5-(34-dichlorophenyl)-3-(2-methylpropoxy)-1H-124-triazol-1-yl]phenyl}-35-dimethoxybenzamide

SMILES

CC(C)COc(nc1-c(cc2)cc(Cl)c2Cl)nn1-c(cc1)ccc1NC(c1cc(OC)cc(OC)c1)=O

InChI

InChI=1S/C27H26Cl2N4O4/c1-16(2)15-37-27-31-25(17-5-10-23(28)24(29)13-17)33(32-27)20-8-6-19(7-9-20)30-26(34)18-11-21(35-3)14-22(12-18)36-4/h5-14,16H,15H2,1-4H3,(H,30,34)

InChI Key

DANKUYKYBYLGPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19760374

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

541.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.576

Distribution Coefficient, logD

7.576

Water Solubility, LogSw

-6.64

Polar Surface Area

69.368

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with V008-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0608?
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What is the minimum amount of V008-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0608
  • 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 V008-0608 available by request