V012-1994 Screening compound: 4-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate

V012-1994 Screening compound: 4-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
V012-1994 Screening compound: 4-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-1994
4-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-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

V012-1994

Molecular Formula

C20H24FNO4S (C20 H24 FNO4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(N(Cc(cc1)ccc1OS(c(cc1)ccc1F)(=O)=O)C(C)C)=O

InChI

InChI=1S/C20H24FNO4S/c1-14(2)20(23)22(15(3)4)13-16-5-9-18(10-6-16)26-27(24,25)19-11-7-17(21)8-12-19/h5-12,14-15H,13H2,1-4H3

InChI Key

NATFCWHXZOBYMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10460729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.063

Distribution Coefficient, logD

4.063

Water Solubility, LogSw

-4.09

Polar Surface Area

52.226

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with V012-1994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-1994?
Check Price and Availability of V012-1994, 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 V012-1994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-1994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-1994
  • 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 V012-1994 available by request