V004-4788 Screening compound: 1-[(4-bromophenyl)(phenyl)methyl]-4-(5-tert-butyl-2-methylfuran-3-carbonyl)piperazine

V004-4788 Screening compound: 1-[(4-bromophenyl)(phenyl)methyl]-4-(5-tert-butyl-2-methylfuran-3-carbonyl)piperazine
V004-4788 Screening compound: 1-[(4-bromophenyl)(phenyl)methyl]-4-(5-tert-butyl-2-methylfuran-3-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4788
1-[(4-bromophenyl)(phenyl)methyl]-4-(5-tert-butyl-2-methylfuran-3-carbonyl)piperazine

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

V004-4788

Molecular Formula

C27H31BrN2O2 (C27 H31 BrN2 O2)

Compound Name

1-[(4-bromophenyl)(phenyl)methyl]-4-(5-tert-butyl-2-methylfuran-3-carbonyl)piperazine

IUPAC name

1-[(4-bromophenyl)(phenyl)methyl]-4-(5-tert-butyl-2-methylfuran-3-carbonyl)piperazine

SMILES

CC(C)(C)c1cc(C(N(CC2)CCN2C(c2ccccc2)c(cc2)ccc2Br)=O)c(C)o1

InChI

InChI=1S/C27H31BrN2O2/c1-19-23(18-24(32-19)27(2,3)4)26(31)30-16-14-29(15-17-30)25(20-8-6-5-7-9-20)21-10-12-22(28)13-11-21/h5-13,18,25H,14-17H2,1-4H3/t25-/m0/s1

InChI Key

GWZILECAYVTJDJ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19963249

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.339

Distribution Coefficient, logD

6.338

Water Solubility, LogSw

-5.62

Polar Surface Area

27.774

Acid Dissociation Constant (pKa)

24.59

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

V004-4788 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V004-4788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4788?
Check Price and Availability of V004-4788, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V004-4788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4788
  • 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 V004-4788 available by request