V013-8086 Screening compound: 2-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}(3-methoxypropyl)amino)-N-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]acetamide

V013-8086 Screening compound: 2-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}(3-methoxypropyl)amino)-N-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]acetamide
V013-8086 Screening compound: 2-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}(3-methoxypropyl)amino)-N-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-8086
2-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}(3-methoxypropyl)amino)-N-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]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

V013-8086

Molecular Formula

C29H33F6N5O3 (C29 H33 F6 N5 O3)

Compound Name

2-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}(3-methoxypropyl)amino)-N-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]acetamide

IUPAC name

2-({[35-bis(trifluoromethyl)phenyl]carbamoyl}(3-methoxypropyl)amino)-N-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]acetamide

SMILES

CC(C)(C)c(cc1NC(CN(CCCOC)C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)=O)=O)nn1-c1cc(C)ccc1

InChI

InChI=1S/C29H33F6N5O3/c1-18-8-6-9-22(12-18)40-24(16-23(38-40)27(2,3)4)37-25(41)17-39(10-7-11-43-5)26(42)36-21-14-19(28(30,31)32)13-20(15-21)29(33,34)35/h6,8-9,12-16H,7,10-11,17H2,1-5H3,(H,36,42)(H,37,41)

InChI Key

RXQAONVWEOCXDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19718211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

613.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.429

Distribution Coefficient, logD

7.423

Water Solubility, LogSw

-5.64

Polar Surface Area

71.175

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

References: we are preparing a list of scientific research reports with V013-8086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-8086?
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What is the minimum amount of V013-8086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-8086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-8086
  • 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 V013-8086 available by request