V012-8252 Screening compound: 4-({N-[(furan-2-yl)methyl]-3,5,5-trimethylhexanamido}methyl)phenyl ethane-1-sulfonate

V012-8252 Screening compound: 4-({N-[(furan-2-yl)methyl]-3,5,5-trimethylhexanamido}methyl)phenyl ethane-1-sulfonate
V012-8252 Screening compound: 4-({N-[(furan-2-yl)methyl]-3,5,5-trimethylhexanamido}methyl)phenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-8252
4-({N-[(furan-2-yl)methyl]-3,5,5-trimethylhexanamido}methyl)phenyl 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

V012-8252

Molecular Formula

C23H33NO5S (C23 H33 NO5 S)

Compound Name

4-({N-[(furan-2-yl)methyl]-3,5,5-trimethylhexanamido}methyl)phenyl ethane-1-sulfonate

IUPAC name

4-({N-[(furan-2-yl)methyl]-355-trimethylhexanamido}methyl)phenyl ethane-1-sulfonate

SMILES

CCS(Oc1ccc(CN(Cc2ccco2)C(CC(C)CC(C)(C)C)=O)cc1)(=O)=O

InChI

InChI=1S/C23H33NO5S/c1-6-30(26,27)29-20-11-9-19(10-12-20)16-24(17-21-8-7-13-28-21)22(25)14-18(2)15-23(3,4)5/h7-13,18H,6,14-17H2,1-5H3/t18-/m1/s1

InChI Key

XYCRMCOGXMQEIR-GOSISDBHSA-N

MDL Number (MFCD)

MFCD19743886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.614

Distribution Coefficient, logD

4.614

Water Solubility, LogSw

-4.27

Polar Surface Area

58.779

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

-4.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

References: we are preparing a list of scientific research reports with V012-8252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-8252?
Check Price and Availability of V012-8252, 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 V012-8252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-8252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-8252
  • 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 V012-8252 available by request