V029-4525 Screening compound: 5-{[1-(2-chlorophenyl)-N-(cyclopropylmethyl)formamido]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate

V029-4525 Screening compound: 5-{[1-(2-chlorophenyl)-N-(cyclopropylmethyl)formamido]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
V029-4525 Screening compound: 5-{[1-(2-chlorophenyl)-N-(cyclopropylmethyl)formamido]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4525
5-{[1-(2-chlorophenyl)-N-(cyclopropylmethyl)formamido]methyl}-2-methoxyphenyl 4-methoxybenzene-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

V029-4525

Molecular Formula

C26H26ClNO6S (C26 H26 ClNO6 S)

Compound Name

5-{[1-(2-chlorophenyl)-N-(cyclopropylmethyl)formamido]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate

IUPAC name

5-{[1-(2-chlorophenyl)-N-(cyclopropylmethyl)formamido]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate

SMILES

COc(cc1)ccc1S(Oc(cc(CN(CC1CC1)C(c(cccc1)c1Cl)=O)cc1)c1OC)(=O)=O

InChI

InChI=1S/C26H26ClNO6S/c1-32-20-10-12-21(13-11-20)35(30,31)34-25-15-19(9-14-24(25)33-2)17-28(16-18-7-8-18)26(29)22-5-3-4-6-23(22)27/h3-6,9-15,18H,7-8,16-17H2,1-2H3

InChI Key

BLDUVFPPWPKTKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.01

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.679

Distribution Coefficient, logD

4.679

Water Solubility, LogSw

-4.90

Polar Surface Area

67.723

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

V029-4525 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 V029-4525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4525?
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What is the minimum amount of V029-4525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4525
  • 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 V029-4525 available by request