V005-4037 Screening compound: 3-{[N-(butan-2-yl)-1-(4-pentylphenyl)formamido]methyl}phenyl 4-fluorobenzene-1-sulfonate

V005-4037 Screening compound: 3-{[N-(butan-2-yl)-1-(4-pentylphenyl)formamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
V005-4037 Screening compound: 3-{[N-(butan-2-yl)-1-(4-pentylphenyl)formamido]methyl}phenyl 4-fluorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-4037
3-{[N-(butan-2-yl)-1-(4-pentylphenyl)formamido]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

V005-4037

Molecular Formula

C29H34FNO4S (C29 H34 FNO4 S)

Compound Name

3-{[N-(butan-2-yl)-1-(4-pentylphenyl)formamido]methyl}phenyl 4-fluorobenzene-1-sulfonate

IUPAC name

3-{[N-(butan-2-yl)-1-(4-pentylphenyl)formamido]methyl}phenyl 4-fluorobenzene-1-sulfonate

SMILES

CCCCCc(cc1)ccc1C(N(Cc1cccc(OS(c(cc2)ccc2F)(=O)=O)c1)C(C)CC)=O

InChI

InChI=1S/C29H34FNO4S/c1-4-6-7-9-23-12-14-25(15-13-23)29(32)31(22(3)5-2)21-24-10-8-11-27(20-24)35-36(33,34)28-18-16-26(30)17-19-28/h8,10-20,22H,4-7,9,21H2,1-3H3/t22-/m0/s1

InChI Key

RFNASMYEQRHPSZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19746202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.667

Distribution Coefficient, logD

7.667

Water Solubility, LogSw

-5.58

Polar Surface Area

51.539

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with V005-4037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-4037?
Check Price and Availability of V005-4037, 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 V005-4037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-4037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-4037
  • 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 V005-4037 available by request