V026-8583 Screening compound: 5-{[N-cyclopropyl-1-(2-fluorophenyl)formamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate

V026-8583 Screening compound: 5-{[N-cyclopropyl-1-(2-fluorophenyl)formamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
V026-8583 Screening compound: 5-{[N-cyclopropyl-1-(2-fluorophenyl)formamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-8583
5-{[N-cyclopropyl-1-(2-fluorophenyl)formamido]methyl}-2-methoxyphenyl 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

V026-8583

Molecular Formula

C26H25FN2O6S (C26 H25 FN2 O6 S)

Compound Name

5-{[N-cyclopropyl-1-(2-fluorophenyl)formamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate

IUPAC name

5-{[N-cyclopropyl-1-(2-fluorophenyl)formamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate

SMILES

CC(Nc(cc1)ccc1S(Oc(cc(CN(C1CC1)C(c(cccc1)c1F)=O)cc1)c1OC)(=O)=O)=O

InChI

InChI=1S/C26H25FN2O6S/c1-17(30)28-19-8-12-21(13-9-19)36(32,33)35-25-15-18(7-14-24(25)34-2)16-29(20-10-11-20)26(31)22-5-3-4-6-23(22)27/h3-9,12-15,20H,10-11,16H2,1-2H3,(H,28,30)

InChI Key

HODODPNEUSBLGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.459

Distribution Coefficient, logD

3.459

Water Solubility, LogSw

-3.92

Polar Surface Area

82.494

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with V026-8583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-8583?
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What is the minimum amount of V026-8583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-8583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-8583
  • 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 V026-8583 available by request