V027-4002 Screening compound: 5-{[1-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate

V027-4002 Screening compound: 5-{[1-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
V027-4002 Screening compound: 5-{[1-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4002
5-{[1-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]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

V027-4002

Molecular Formula

C26H25F2NO6S (C26 H25 F2 NO6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CN(CC1OCCC1)C(c(cccc1)c1F)=O)c1)c1OS(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C26H25F2NO6S/c1-33-24-13-8-18(15-25(24)35-36(31,32)21-11-9-19(27)10-12-21)16-29(17-20-5-4-14-34-20)26(30)22-6-2-3-7-23(22)28/h2-3,6-13,15,20H,4-5,14,16-17H2,1H3/t20-/m1/s1

InChI Key

OUGPGTJAPLCZQO-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19787670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.620

Distribution Coefficient, logD

3.620

Water Solubility, LogSw

-3.81

Polar Surface Area

68.311

Acid Dissociation Constant (pKa)

26.48

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

V027-4002 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V027-4002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4002?
Check Price and Availability of V027-4002, 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 V027-4002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4002
  • 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 V027-4002 available by request