V023-9699 Screening compound: 5-({[(4-fluorophenyl)methyl][(2-methoxyphenyl)carbamoyl]amino}methyl)-2-methoxyphenyl ethane-1-sulfonate

V023-9699 Screening compound: 5-({[(4-fluorophenyl)methyl][(2-methoxyphenyl)carbamoyl]amino}methyl)-2-methoxyphenyl ethane-1-sulfonate
V023-9699 Screening compound: 5-({[(4-fluorophenyl)methyl][(2-methoxyphenyl)carbamoyl]amino}methyl)-2-methoxyphenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-9699
5-({[(4-fluorophenyl)methyl][(2-methoxyphenyl)carbamoyl]amino}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

V023-9699

Molecular Formula

C25H27FN2O6S (C25 H27 FN2 O6 S)

Compound Name

5-({[(4-fluorophenyl)methyl][(2-methoxyphenyl)carbamoyl]amino}methyl)-2-methoxyphenyl ethane-1-sulfonate

IUPAC name

5-({[(4-fluorophenyl)methyl][(2-methoxyphenyl)carbamoyl]amino}methyl)-2-methoxyphenyl ethane-1-sulfonate

SMILES

CCS(Oc(cc(CN(Cc(cc1)ccc1F)C(Nc(cccc1)c1OC)=O)cc1)c1OC)(=O)=O

InChI

InChI=1S/C25H27FN2O6S/c1-4-35(30,31)34-24-15-19(11-14-23(24)33-3)17-28(16-18-9-12-20(26)13-10-18)25(29)27-21-7-5-6-8-22(21)32-2/h5-15H,4,16-17H2,1-3H3,(H,27,29)

InChI Key

MCCYCLCWEQONTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19790189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.055

Distribution Coefficient, logD

4.055

Water Solubility, LogSw

-4.06

Polar Surface Area

74.757

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with V023-9699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-9699?
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What is the minimum amount of V023-9699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-9699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-9699
  • 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 V023-9699 available by request