V006-4057 Screening compound: 5-{[N-(butan-2-yl)-1-(3-fluorophenyl)formamido]methyl}-2-methoxyphenyl ethane-1-sulfonate

V006-4057 Screening compound: 5-{[N-(butan-2-yl)-1-(3-fluorophenyl)formamido]methyl}-2-methoxyphenyl ethane-1-sulfonate
V006-4057 Screening compound: 5-{[N-(butan-2-yl)-1-(3-fluorophenyl)formamido]methyl}-2-methoxyphenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-4057
5-{[N-(butan-2-yl)-1-(3-fluorophenyl)formamido]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

V006-4057

Molecular Formula

C21H26FNO5S (C21 H26 FNO5 S)

Compound Name

5-{[N-(butan-2-yl)-1-(3-fluorophenyl)formamido]methyl}-2-methoxyphenyl ethane-1-sulfonate

IUPAC name

5-{[N-(butan-2-yl)-1-(3-fluorophenyl)formamido]methyl}-2-methoxyphenyl ethane-1-sulfonate

SMILES

CCC(C)N(Cc(cc1)cc(OS(CC)(=O)=O)c1OC)C(c1cc(F)ccc1)=O

InChI

InChI=1S/C21H26FNO5S/c1-5-15(3)23(21(24)17-8-7-9-18(22)13-17)14-16-10-11-19(27-4)20(12-16)28-29(25,26)6-2/h7-13,15H,5-6,14H2,1-4H3/t15-/m0/s1

InChI Key

NEVMYMGKTBLZAE-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19747310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.590

Distribution Coefficient, logD

3.590

Water Solubility, LogSw

-3.80

Polar Surface Area

58.603

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

V006-4057 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with V006-4057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-4057?
Check Price and Availability of V006-4057, 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 V006-4057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-4057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-4057
  • 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 V006-4057 available by request