V005-1939 Screening compound: N-(1-{[benzyl(methyl)amino]carbonyl}-2-methylpropyl)-5-(2,4-dimethoxyphenyl)-3-isoxazolecarboxamide

V005-1939 Screening compound: N-(1-{[benzyl(methyl)amino]carbonyl}-2-methylpropyl)-5-(2,4-dimethoxyphenyl)-3-isoxazolecarboxamide
V005-1939 Screening compound: N-(1-{[benzyl(methyl)amino]carbonyl}-2-methylpropyl)-5-(2,4-dimethoxyphenyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-1939
N-(1-{[benzyl(methyl)amino]carbonyl}-2-methylpropyl)-5-(2,4-dimethoxyphenyl)-3-isoxazolecarboxamide

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

V005-1939

Molecular Formula

C25H29N3O5 (C25 H29 N3 O5)

Compound Name

N-(1-{[benzyl(methyl)amino]carbonyl}-2-methylpropyl)-5-(2,4-dimethoxyphenyl)-3-isoxazolecarboxamide

IUPAC name

N-benzyl-2-{[5-(24-dimethoxyphenyl)-12-oxazol-3-yl]formamido}-N3-dimethylbutanamide

SMILES

CC(C)C(C(N(C)Cc1ccccc1)=O)NC(c1noc(-c(ccc(OC)c2)c2OC)c1)=O

InChI

InChI=1S/C25H29N3O5/c1-16(2)23(25(30)28(3)15-17-9-7-6-8-10-17)26-24(29)20-14-22(33-27-20)19-12-11-18(31-4)13-21(19)32-5/h6-14,16,23H,15H2,1-5H3,(H,26,29)/t23-/m0/s1

InChI Key

AKXZSBPSFDCCGY-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19809352

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.210

Distribution Coefficient, logD

4.210

Water Solubility, LogSw

-4.37

Polar Surface Area

77.135

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

V005-1939 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V005-1939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-1939?
Check Price and Availability of V005-1939, 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 V005-1939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-1939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-1939
  • 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 V005-1939 available by request