V027-5128 Screening compound: 2-{[(tert-butylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}-5-(diethylamino)phenyl methanesulfonate

V027-5128 Screening compound: 2-{[(tert-butylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}-5-(diethylamino)phenyl methanesulfonate
V027-5128 Screening compound: 2-{[(tert-butylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}-5-(diethylamino)phenyl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5128
2-{[(tert-butylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}-5-(diethylamino)phenyl methanesulfonate

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

V027-5128

Molecular Formula

C22H33N3O5S (C22 H33 N3 O5 S)

Compound Name

2-{[(tert-butylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}-5-(diethylamino)phenyl methanesulfonate

IUPAC name

2-{[(tert-butylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}-5-(diethylamino)phenyl methanesulfonate

SMILES

CCN(CC)c1cc(OS(C)(=O)=O)c(CN(Cc2ccco2)C(NC(C)(C)C)=O)cc1

InChI

InChI=1S/C22H33N3O5S/c1-7-24(8-2)18-12-11-17(20(14-18)30-31(6,27)28)15-25(16-19-10-9-13-29-19)21(26)23-22(3,4)5/h9-14H,7-8,15-16H2,1-6H3,(H,23,26)

InChI Key

LPAQTGIUHRHUJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19791305

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

451.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.003

Distribution Coefficient, logD

3.994

Water Solubility, LogSw

-3.99

Polar Surface Area

72.137

Acid Dissociation Constant (pKa)

16.90

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V027-5128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5128?
Check Price and Availability of V027-5128, 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 V027-5128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5128
  • 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 V027-5128 available by request