V004-5043 Screening compound: 1-[({1-[(3-methoxyphenyl)methyl]-1H-pyrrol-2-yl}methyl)(3-methylbutyl)amino]propan-2-ol

V004-5043 Screening compound: 1-[({1-[(3-methoxyphenyl)methyl]-1H-pyrrol-2-yl}methyl)(3-methylbutyl)amino]propan-2-ol
V004-5043 Screening compound: 1-[({1-[(3-methoxyphenyl)methyl]-1H-pyrrol-2-yl}methyl)(3-methylbutyl)amino]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5043
1-[({1-[(3-methoxyphenyl)methyl]-1H-pyrrol-2-yl}methyl)(3-methylbutyl)amino]propan-2-ol

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

V004-5043

Molecular Formula

C21H32N2O2 (C21 H32 N2 O2)

Compound Name

1-[({1-[(3-methoxyphenyl)methyl]-1H-pyrrol-2-yl}methyl)(3-methylbutyl)amino]propan-2-ol

IUPAC name

1-[({1-[(3-methoxyphenyl)methyl]-1H-pyrrol-2-yl}methyl)(3-methylbutyl)amino]propan-2-ol

SMILES

CC(C)CCN(CC(C)O)Cc1cccn1Cc1cccc(OC)c1

InChI

InChI=1S/C21H32N2O2/c1-17(2)10-12-22(14-18(3)24)16-20-8-6-11-23(20)15-19-7-5-9-21(13-19)25-4/h5-9,11,13,17-18,24H,10,12,14-16H2,1-4H3/t18-/m0/s1

InChI Key

XEXVZQSPDMPXFX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19772768

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

344.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.842

Distribution Coefficient, logD

3.636

Water Solubility, LogSw

-3.93

Polar Surface Area

30.292

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

V004-5043 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V004-5043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5043?
Check Price and Availability of V004-5043, 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 V004-5043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5043
  • 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 V004-5043 available by request