V026-1857 Screening compound: 2-methoxy-5-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate

V026-1857 Screening compound: 2-methoxy-5-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
V026-1857 Screening compound: 2-methoxy-5-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-1857
2-methoxy-5-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 4-acetamidobenzene-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

V026-1857

Molecular Formula

C25H32N2O7S (C25 H32 N2 O7 S)

Compound Name

2-methoxy-5-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate

IUPAC name

2-methoxy-5-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate

SMILES

CC(C)C(N(CC1OCCC1)Cc(cc1)cc(OS(c(cc2)ccc2NC(C)=O)(=O)=O)c1OC)=O

InChI

InChI=1S/C25H32N2O7S/c1-17(2)25(29)27(16-21-6-5-13-33-21)15-19-7-12-23(32-4)24(14-19)34-35(30,31)22-10-8-20(9-11-22)26-18(3)28/h7-12,14,17,21H,5-6,13,15-16H2,1-4H3,(H,26,28)/t21-/m1/s1

InChI Key

SIKJQZGQEOKFNA-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19787696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.289

Distribution Coefficient, logD

2.289

Water Solubility, LogSw

-3.04

Polar Surface Area

91.844

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with V026-1857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-1857?
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What is the minimum amount of V026-1857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-1857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-1857
  • 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 V026-1857 available by request