V030-1100 Screening compound: 5-{[1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]formamido]methyl}-2-methoxyphenyl propane-2-sulfonate

V030-1100 Screening compound: 5-{[1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]formamido]methyl}-2-methoxyphenyl propane-2-sulfonate
V030-1100 Screening compound: 5-{[1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]formamido]methyl}-2-methoxyphenyl propane-2-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-1100
5-{[1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]formamido]methyl}-2-methoxyphenyl propane-2-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

V030-1100

Molecular Formula

C25H25ClFNO5S (C25 H25 ClFNO5 S)

Compound Name

5-{[1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]formamido]methyl}-2-methoxyphenyl propane-2-sulfonate

IUPAC name

5-{[1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]formamido]methyl}-2-methoxyphenyl propane-2-sulfonate

SMILES

CC(C)S(Oc(cc(CN(Cc(cc1)ccc1F)C(c(cccc1)c1Cl)=O)cc1)c1OC)(=O)=O

InChI

InChI=1S/C25H25ClFNO5S/c1-17(2)34(30,31)33-24-14-19(10-13-23(24)32-3)16-28(15-18-8-11-20(27)12-9-18)25(29)21-6-4-5-7-22(21)26/h4-14,17H,15-16H2,1-3H3

InChI Key

OSJBYGJLVCHIAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.99

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

4.389

Distribution Coefficient, logD

4.389

Water Solubility, LogSw

-4.53

Polar Surface Area

59.928

Acid Dissociation Constant (pKa)

19.26

Base Dissociation Constant (pKb)

-6.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with V030-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-1100?
Check Price and Availability of V030-1100, 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 V030-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-1100
  • 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 V030-1100 available by request