V030-3326 Screening compound: butyl 2-{[4-({[(furan-2-yl)methyl][(2-methoxyphenyl)carbamoyl]amino}methyl)phenoxy]sulfonyl}benzoate

V030-3326 Screening compound: butyl 2-{[4-({[(furan-2-yl)methyl][(2-methoxyphenyl)carbamoyl]amino}methyl)phenoxy]sulfonyl}benzoate
V030-3326 Screening compound: butyl 2-{[4-({[(furan-2-yl)methyl][(2-methoxyphenyl)carbamoyl]amino}methyl)phenoxy]sulfonyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3326
butyl 2-{[4-({[(furan-2-yl)methyl][(2-methoxyphenyl)carbamoyl]amino}methyl)phenoxy]sulfonyl}benzoate

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

V030-3326

Molecular Formula

C31H32N2O8S (C31 H32 N2 O8 S)

Compound Name

butyl 2-{[4-({[(furan-2-yl)methyl][(2-methoxyphenyl)carbamoyl]amino}methyl)phenoxy]sulfonyl}benzoate

IUPAC name

butyl 2-{[4-({[(furan-2-yl)methyl][(2-methoxyphenyl)carbamoyl]amino}methyl)phenoxy]sulfonyl}benzoate

SMILES

CCCCOC(c(cccc1)c1S(Oc1ccc(CN(Cc2ccco2)C(Nc(cccc2)c2OC)=O)cc1)(=O)=O)=O

InChI

InChI=1S/C31H32N2O8S/c1-3-4-19-40-30(34)26-11-5-8-14-29(26)42(36,37)41-24-17-15-23(16-18-24)21-33(22-25-10-9-20-39-25)31(35)32-27-12-6-7-13-28(27)38-2/h5-18,20H,3-4,19,21-22H2,1-2H3,(H,32,35)

InChI Key

XEWUNPXAYCZATK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.67

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.179

Distribution Coefficient, logD

6.179

Water Solubility, LogSw

-5.50

Polar Surface Area

96.489

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.60

V030-3326 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-3326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3326?
Check Price and Availability of V030-3326, 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 V030-3326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3326
  • 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 V030-3326 available by request