V028-0349 Screening compound: 5-{[(tert-butylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}-2-methoxyphenyl ethane-1-sulfonate

V028-0349 Screening compound: 5-{[(tert-butylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}-2-methoxyphenyl ethane-1-sulfonate
V028-0349 Screening compound: 5-{[(tert-butylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}-2-methoxyphenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0349
5-{[(tert-butylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}-2-methoxyphenyl ethane-1-sulfonate

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

V028-0349

Molecular Formula

C20H28N2O6S (C20 H28 N2 O6 S)

Compound Name

5-{[(tert-butylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}-2-methoxyphenyl ethane-1-sulfonate

IUPAC name

5-{[(tert-butylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}-2-methoxyphenyl ethane-1-sulfonate

SMILES

CCS(Oc(cc(CN(Cc1ccco1)C(NC(C)(C)C)=O)cc1)c1OC)(=O)=O

InChI

InChI=1S/C20H28N2O6S/c1-6-29(24,25)28-18-12-15(9-10-17(18)26-5)13-22(14-16-8-7-11-27-16)19(23)21-20(2,3)4/h7-12H,6,13-14H2,1-5H3,(H,21,23)

InChI Key

NBTQMJPYXNXYBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19790321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.073

Distribution Coefficient, logD

3.073

Water Solubility, LogSw

-3.47

Polar Surface Area

75.991

Acid Dissociation Constant (pKa)

16.90

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

V028-0349 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 V028-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0349?
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What is the minimum amount of V028-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0349
  • 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 V028-0349 available by request