V028-1609 Screening compound: 3-{[(tert-butylcarbamoyl)[(4-fluorophenyl)methyl]amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate

V028-1609 Screening compound: 3-{[(tert-butylcarbamoyl)[(4-fluorophenyl)methyl]amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
V028-1609 Screening compound: 3-{[(tert-butylcarbamoyl)[(4-fluorophenyl)methyl]amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-1609
3-{[(tert-butylcarbamoyl)[(4-fluorophenyl)methyl]amino]methyl}phenyl 2-chloro-6-methylbenzene-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

V028-1609

Molecular Formula

C26H28ClFN2O4S (C26 H28 ClFN2 O4 S)

Compound Name

3-{[(tert-butylcarbamoyl)[(4-fluorophenyl)methyl]amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate

IUPAC name

3-{[(tert-butylcarbamoyl)[(4-fluorophenyl)methyl]amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate

SMILES

CC(C)(C)NC(N(Cc(cc1)ccc1F)Cc1cccc(OS(c(c(C)ccc2)c2Cl)(=O)=O)c1)=O

InChI

InChI=1S/C26H28ClFN2O4S/c1-18-7-5-10-23(27)24(18)35(32,33)34-22-9-6-8-20(15-22)17-30(25(31)29-26(2,3)4)16-19-11-13-21(28)14-12-19/h5-15H,16-17H2,1-4H3,(H,29,31)

InChI Key

AXKGXBPOSDJPCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.04

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.710

Distribution Coefficient, logD

5.710

Water Solubility, LogSw

-5.94

Polar Surface Area

61.178

Acid Dissociation Constant (pKa)

17.05

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with V028-1609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-1609?
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What is the minimum amount of V028-1609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-1609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-1609
  • 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 V028-1609 available by request