V017-5036 Screening compound: 4-butyl-N-(4-{3-isobutoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)benzamide

V017-5036 Screening compound: 4-butyl-N-(4-{3-isobutoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)benzamide
V017-5036 Screening compound: 4-butyl-N-(4-{3-isobutoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-5036
4-butyl-N-(4-{3-isobutoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)benzamide

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

V017-5036

Molecular Formula

C30H31F3N4O2 (C30 H31 F3 N4 O2)

Compound Name

4-butyl-N-(4-{3-isobutoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)benzamide

IUPAC name

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

SMILES

CCCCc(cc1)ccc1C(Nc(cc1)ccc1-n(c(-c1ccc(C(F)(F)F)cc1)n1)nc1OCC(C)C)=O

InChI

InChI=1S/C30H31F3N4O2/c1-4-5-6-21-7-9-23(10-8-21)28(38)34-25-15-17-26(18-16-25)37-27(35-29(36-37)39-19-20(2)3)22-11-13-24(14-12-22)30(31,32)33/h7-18,20H,4-6,19H2,1-3H3,(H,34,38)

InChI Key

RBOAQSLHZHVPGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14245327

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

536.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.870

Distribution Coefficient, logD

8.870

Water Solubility, LogSw

-5.91

Polar Surface Area

54.280

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with V017-5036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-5036?
Check Price and Availability of V017-5036, 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 V017-5036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-5036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-5036
  • 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 V017-5036 available by request