V012-8049 Screening compound: 3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate

V012-8049 Screening compound: 3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
V012-8049 Screening compound: 3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-8049
3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-methoxybenzene-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

V012-8049

Molecular Formula

C21H27NO5S (C21 H27 NO5 S)

Compound Name

3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate

IUPAC name

3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate

SMILES

CC(C)C(N(Cc1cccc(OS(c(cc2)ccc2OC)(=O)=O)c1)C(C)C)=O

InChI

InChI=1S/C21H27NO5S/c1-15(2)21(23)22(16(3)4)14-17-7-6-8-19(13-17)27-28(24,25)20-11-9-18(26-5)10-12-20/h6-13,15-16H,14H2,1-5H3

InChI Key

YNDYILTVJZDBRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19788119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.058

Distribution Coefficient, logD

4.058

Water Solubility, LogSw

-4.28

Polar Surface Area

59.770

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with V012-8049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-8049?
Check Price and Availability of V012-8049, 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 V012-8049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-8049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-8049
  • 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 V012-8049 available by request