V004-1002 Screening compound: 4-chloro-N~1~-(2-methoxyethyl)-N~1~-{[5-(3,4,5-trimethoxyphenyl)-3-isoxazolyl]methyl}benzamide

V004-1002 Screening compound: 4-chloro-N~1~-(2-methoxyethyl)-N~1~-{[5-(3,4,5-trimethoxyphenyl)-3-isoxazolyl]methyl}benzamide
V004-1002 Screening compound: 4-chloro-N~1~-(2-methoxyethyl)-N~1~-{[5-(3,4,5-trimethoxyphenyl)-3-isoxazolyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1002
4-chloro-N~1~-(2-methoxyethyl)-N~1~-{[5-(3,4,5-trimethoxyphenyl)-3-isoxazolyl]methyl}benzamide

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

V004-1002

Molecular Formula

C23H25ClN2O6 (C23 H25 ClN2 O6)

Compound Name

4-chloro-N~1~-(2-methoxyethyl)-N~1~-{[5-(3,4,5-trimethoxyphenyl)-3-isoxazolyl]methyl}benzamide

IUPAC name

4-chloro-N-(2-methoxyethyl)-N-{[5-(345-trimethoxyphenyl)-12-oxazol-3-yl]methyl}benzamide

SMILES

COCCN(Cc1noc(-c(cc2OC)cc(OC)c2OC)c1)C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C23H25ClN2O6/c1-28-10-9-26(23(27)15-5-7-17(24)8-6-15)14-18-13-19(32-25-18)16-11-20(29-2)22(31-4)21(12-16)30-3/h5-8,11-13H,9-10,14H2,1-4H3

InChI Key

MCSCCBMUGYHDFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19814514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.505

Distribution Coefficient, logD

3.505

Water Solubility, LogSw

-3.96

Polar Surface Area

69.779

Acid Dissociation Constant (pKa)

28.60

Base Dissociation Constant (pKb)

-6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

References: we are preparing a list of scientific research reports with V004-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1002?
Check Price and Availability of V004-1002, 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 V004-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1002
  • 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 V004-1002 available by request