V004-8088 Screening compound: N'-(2-ethylphenyl)-N-pentyl-N-({1-[3-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}methyl)urea

V004-8088 Screening compound: N'-(2-ethylphenyl)-N-pentyl-N-({1-[3-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}methyl)urea
V004-8088 Screening compound: N'-(2-ethylphenyl)-N-pentyl-N-({1-[3-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8088
N'-(2-ethylphenyl)-N-pentyl-N-({1-[3-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}methyl)urea

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

V004-8088

Molecular Formula

C27H32F3N3O (C27 H32 F3 N3 O)

Compound Name

N'-(2-ethylphenyl)-N-pentyl-N-({1-[3-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}methyl)urea

IUPAC name

1-(2-ethylphenyl)-3-pentyl-3-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea

SMILES

CCCCCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)C(Nc1c(CC)cccc1)=O

InChI

InChI=1S/C27H32F3N3O/c1-3-5-8-16-33(26(34)31-25-15-7-6-12-22(25)4-2)20-24-14-10-17-32(24)19-21-11-9-13-23(18-21)27(28,29)30/h6-7,9-15,17-18H,3-5,8,16,19-20H2,1-2H3,(H,31,34)

InChI Key

CRKQBPSJDFAENI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19723972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.57

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.530

Distribution Coefficient, logD

7.530

Water Solubility, LogSw

-5.64

Polar Surface Area

26.621

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with V004-8088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8088?
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What is the minimum amount of V004-8088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8088
  • 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 V004-8088 available by request