V004-0124 Screening compound: 1-[({5-[isopropyl(methyl)amino]-3-phenyl-4-isoxazolyl}methyl)(3-methylbenzyl)amino]-2-propanol

V004-0124 Screening compound: 1-[({5-[isopropyl(methyl)amino]-3-phenyl-4-isoxazolyl}methyl)(3-methylbenzyl)amino]-2-propanol
V004-0124 Screening compound: 1-[({5-[isopropyl(methyl)amino]-3-phenyl-4-isoxazolyl}methyl)(3-methylbenzyl)amino]-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0124
1-[({5-[isopropyl(methyl)amino]-3-phenyl-4-isoxazolyl}methyl)(3-methylbenzyl)amino]-2-propanol

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

V004-0124

Molecular Formula

C25H33N3O2 (C25 H33 N3 O2)

Compound Name

1-[({5-[isopropyl(methyl)amino]-3-phenyl-4-isoxazolyl}methyl)(3-methylbenzyl)amino]-2-propanol

IUPAC name

1-[({5-[methyl(propan-2-yl)amino]-3-phenyl-12-oxazol-4-yl}methyl)[(3-methylphenyl)methyl]amino]propan-2-ol

SMILES

CC(C)N(C)c1c(CN(CC(C)O)Cc2cc(C)ccc2)c(-c2ccccc2)no1

InChI

InChI=1S/C25H33N3O2/c1-18(2)27(5)25-23(24(26-30-25)22-12-7-6-8-13-22)17-28(15-20(4)29)16-21-11-9-10-19(3)14-21/h6-14,18,20,29H,15-17H2,1-5H3/t20-/m0/s1

InChI Key

IHTJUWVEAJBKDG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19879315

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

407.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.514

Distribution Coefficient, logD

2.000

Water Solubility, LogSw

-4.32

Polar Surface Area

46.051

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

9.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V004-0124 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V004-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0124?
Check Price and Availability of V004-0124, 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 V004-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0124
  • 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 V004-0124 available by request