V004-8092 Screening compound: 2-(1-{[1,1'-biphenyl]-4-yl}-N-(propan-2-yl)formamido)-N-({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-butylacetamide

V004-8092 Screening compound: 2-(1-{[1,1'-biphenyl]-4-yl}-N-(propan-2-yl)formamido)-N-({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-butylacetamide
V004-8092 Screening compound: 2-(1-{[1,1'-biphenyl]-4-yl}-N-(propan-2-yl)formamido)-N-({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-butylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8092
2-(1-{[1,1'-biphenyl]-4-yl}-N-(propan-2-yl)formamido)-N-({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-butylacetamide

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

V004-8092

Molecular Formula

C34H38BrN3O2 (C34 H38 BrN3 O2)

Compound Name

2-(1-{[1,1'-biphenyl]-4-yl}-N-(propan-2-yl)formamido)-N-({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-butylacetamide

IUPAC name

2-(1-{[11'-biphenyl]-4-yl}-N-(propan-2-yl)formamido)-N-({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-butylacetamide

SMILES

CCCCN(Cc1cccn1Cc(cc1)ccc1Br)C(CN(C(C)C)C(c(cc1)ccc1-c1ccccc1)=O)=O

InChI

InChI=1S/C34H38BrN3O2/c1-4-5-21-37(24-32-12-9-22-36(32)23-27-13-19-31(35)20-14-27)33(39)25-38(26(2)3)34(40)30-17-15-29(16-18-30)28-10-7-6-8-11-28/h6-20,22,26H,4-5,21,23-25H2,1-3H3

InChI Key

HKQRJUCMSJYZTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19730072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

600.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.745

Distribution Coefficient, logD

7.745

Water Solubility, LogSw

-5.87

Polar Surface Area

33.926

Acid Dissociation Constant (pKa)

22.51

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with V004-8092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8092?
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What is the minimum amount of V004-8092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8092
  • 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 V004-8092 available by request