V008-4845 Screening compound: N-{4-[3-(2-methylpropoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-2-phenylbutanamide

V008-4845 Screening compound: N-{4-[3-(2-methylpropoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-2-phenylbutanamide
V008-4845 Screening compound: N-{4-[3-(2-methylpropoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4845
N-{4-[3-(2-methylpropoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-2-phenylbutanamide

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

V008-4845

Molecular Formula

C29H29F3N4O2 (C29 H29 F3 N4 O2)

Compound Name

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

IUPAC name

N-{4-[3-(2-methylpropoxy)-5-[4-(trifluoromethyl)phenyl]-1H-124-triazol-1-yl]phenyl}-2-phenylbutanamide

SMILES

CCC(C(Nc(cc1)ccc1-n(c(-c1ccc(C(F)(F)F)cc1)n1)nc1OCC(C)C)=O)c1ccccc1

InChI

InChI=1S/C29H29F3N4O2/c1-4-25(20-8-6-5-7-9-20)27(37)33-23-14-16-24(17-15-23)36-26(34-28(35-36)38-18-19(2)3)21-10-12-22(13-11-21)29(30,31)32/h5-17,19,25H,4,18H2,1-3H3,(H,33,37)/t25-/m1/s1

InChI Key

WZACQYKTXNTSPM-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19748552

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

522.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.768

Distribution Coefficient, logD

7.768

Water Solubility, LogSw

-5.93

Polar Surface Area

54.280

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

References: we are preparing a list of scientific research reports with V008-4845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4845?
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What is the minimum amount of V008-4845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4845
  • 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 V008-4845 available by request