V015-9935 Screening compound: 5-{[1-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate

V015-9935 Screening compound: 5-{[1-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
V015-9935 Screening compound: 5-{[1-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-9935
5-{[1-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]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

V015-9935

Molecular Formula

C28H29FN2O7S (C28 H29 FN2 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(cc1)ccc1S(Oc(cc(CN(CC1OCCC1)C(c(cccc1)c1F)=O)cc1)c1OC)(=O)=O)=O

InChI

InChI=1S/C28H29FN2O7S/c1-19(32)30-21-10-12-23(13-11-21)39(34,35)38-27-16-20(9-14-26(27)36-2)17-31(18-22-6-5-15-37-22)28(33)24-7-3-4-8-25(24)29/h3-4,7-14,16,22H,5-6,15,17-18H2,1-2H3,(H,30,32)/t22-/m1/s1

InChI Key

KSLHIZKYBSYXEY-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19787698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.61

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

2.792

Distribution Coefficient, logD

2.792

Water Solubility, LogSw

-3.56

Polar Surface Area

91.573

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

V015-9935 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V015-9935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-9935?
Check Price and Availability of V015-9935, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V015-9935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-9935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-9935
  • 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 V015-9935 available by request