V003-2068 Screening compound: 5-({[(2,4-difluorophenyl)carbamoyl](2-methylpropyl)amino}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate

V003-2068 Screening compound: 5-({[(2,4-difluorophenyl)carbamoyl](2-methylpropyl)amino}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
V003-2068 Screening compound: 5-({[(2,4-difluorophenyl)carbamoyl](2-methylpropyl)amino}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2068
5-({[(2,4-difluorophenyl)carbamoyl](2-methylpropyl)amino}methyl)-2-methoxyphenyl 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

V003-2068

Molecular Formula

C25H25F3N2O5S (C25 H25 F3 N2 O5 S)

Compound Name

5-({[(2,4-difluorophenyl)carbamoyl](2-methylpropyl)amino}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate

IUPAC name

5-({[(24-difluorophenyl)carbamoyl](2-methylpropyl)amino}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate

SMILES

CC(C)CN(Cc(cc1)cc(OS(c(cc2)ccc2F)(=O)=O)c1OC)C(Nc(ccc(F)c1)c1F)=O

InChI

InChI=1S/C25H25F3N2O5S/c1-16(2)14-30(25(31)29-22-10-7-19(27)13-21(22)28)15-17-4-11-23(34-3)24(12-17)35-36(32,33)20-8-5-18(26)6-9-20/h4-13,16H,14-15H2,1-3H3,(H,29,31)

InChI Key

CJSZDQSBFBBCSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19751010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.336

Distribution Coefficient, logD

5.336

Water Solubility, LogSw

-5.36

Polar Surface Area

68.051

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with V003-2068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2068?
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What is the minimum amount of V003-2068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2068
  • 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 V003-2068 available by request