V011-5780 Screening compound: N-benzyl-2-[butyl({[4-(trifluoromethyl)phenyl]carbamoyl})amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide

V011-5780 Screening compound: N-benzyl-2-[butyl({[4-(trifluoromethyl)phenyl]carbamoyl})amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
V011-5780 Screening compound: N-benzyl-2-[butyl({[4-(trifluoromethyl)phenyl]carbamoyl})amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-5780
N-benzyl-2-[butyl({[4-(trifluoromethyl)phenyl]carbamoyl})amino]-N-[(5-methylthiophen-2-yl)methyl]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

V011-5780

Molecular Formula

C27H30F3N3O2S (C27 H30 F3 N3 O2 S)

Compound Name

N-benzyl-2-[butyl({[4-(trifluoromethyl)phenyl]carbamoyl})amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide

IUPAC name

N-benzyl-2-[butyl({[4-(trifluoromethyl)phenyl]carbamoyl})amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide

SMILES

CCCCN(CC(N(Cc1ccc(C)s1)Cc1ccccc1)=O)C(Nc1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C27H30F3N3O2S/c1-3-4-16-32(26(35)31-23-13-11-22(12-14-23)27(28,29)30)19-25(34)33(17-21-8-6-5-7-9-21)18-24-15-10-20(2)36-24/h5-15H,3-4,16-19H2,1-2H3,(H,31,35)

InChI Key

PHHAQJGOFSFFPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19760544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.479

Distribution Coefficient, logD

6.479

Water Solubility, LogSw

-5.66

Polar Surface Area

41.951

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V011-5780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-5780?
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What is the minimum amount of V011-5780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-5780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-5780
  • 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 V011-5780 available by request