V025-1033 Screening compound: 4-chloro-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate

V025-1033 Screening compound: 4-chloro-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
V025-1033 Screening compound: 4-chloro-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-1033
4-chloro-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}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

V025-1033

Molecular Formula

C22H25ClFNO5S (C22 H25 ClFNO5 S)

Compound Name

4-chloro-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate

IUPAC name

4-chloro-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate

SMILES

CC(C)C(N(CC1OCCC1)Cc(cc(cc1)Cl)c1OS(c(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C22H25ClFNO5S/c1-15(2)22(26)25(14-19-4-3-11-29-19)13-16-12-17(23)5-10-21(16)30-31(27,28)20-8-6-18(24)7-9-20/h5-10,12,15,19H,3-4,11,13-14H2,1-2H3/t19-/m1/s1

InChI Key

GUTXFMXDIYWBNS-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19795456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.182

Distribution Coefficient, logD

4.182

Water Solubility, LogSw

-4.49

Polar Surface Area

60.952

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

-3.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with V025-1033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-1033?
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What is the minimum amount of V025-1033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-1033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-1033
  • 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 V025-1033 available by request