V004-8094 Screening compound: N~1~-{2-[butyl({1-[3-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}methyl)amino]-2-oxoethyl}-N~1~-ethyl-3,5-bis(trifluoromethyl)benzamide

V004-8094 Screening compound: N~1~-{2-[butyl({1-[3-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}methyl)amino]-2-oxoethyl}-N~1~-ethyl-3,5-bis(trifluoromethyl)benzamide
V004-8094 Screening compound: N~1~-{2-[butyl({1-[3-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}methyl)amino]-2-oxoethyl}-N~1~-ethyl-3,5-bis(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8094
N~1~-{2-[butyl({1-[3-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}methyl)amino]-2-oxoethyl}-N~1~-ethyl-3,5-bis(trifluoromethyl)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

V004-8094

Molecular Formula

C30H30F9N3O2 (C30 H30 F9 N3 O2)

Compound Name

N~1~-{2-[butyl({1-[3-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}methyl)amino]-2-oxoethyl}-N~1~-ethyl-3,5-bis(trifluoromethyl)benzamide

IUPAC name

2-{1-[35-bis(trifluoromethyl)phenyl]-N-ethylformamido}-N-butyl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]acetamide

SMILES

CCCCN(Cc1cccn1Cc1cc(C(F)(F)F)ccc1)C(CN(CC)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=O)=O

InChI

InChI=1S/C30H30F9N3O2/c1-3-5-11-42(18-25-10-7-12-41(25)17-20-8-6-9-22(13-20)28(31,32)33)26(43)19-40(4-2)27(44)21-14-23(29(34,35)36)16-24(15-21)30(37,38)39/h6-10,12-16H,3-5,11,17-19H2,1-2H3

InChI Key

WUNOWLWFMZWSHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19727086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

635.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.017

Distribution Coefficient, logD

7.017

Water Solubility, LogSw

-5.78

Polar Surface Area

34.178

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with V004-8094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8094?
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What is the minimum amount of V004-8094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8094
  • 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 V004-8094 available by request