V026-4625 Screening compound: 5-{[1-(2-chlorophenyl)-N-[(furan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate

V026-4625 Screening compound: 5-{[1-(2-chlorophenyl)-N-[(furan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
V026-4625 Screening compound: 5-{[1-(2-chlorophenyl)-N-[(furan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-4625
5-{[1-(2-chlorophenyl)-N-[(furan-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

V026-4625

Molecular Formula

C28H25ClN2O7S (C28 H25 ClN2 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(cc1)ccc1S(Oc(cc(CN(Cc1ccco1)C(c(cccc1)c1Cl)=O)cc1)c1OC)(=O)=O)=O

InChI

InChI=1S/C28H25ClN2O7S/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/h3-16H,17-18H2,1-2H3,(H,30,32)

InChI Key

RNUHIFLDAPQCNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.03

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

3.881

Distribution Coefficient, logD

3.881

Water Solubility, LogSw

-4.23

Polar Surface Area

90.667

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

V026-4625 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V026-4625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-4625?
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What is the minimum amount of V026-4625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-4625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-4625
  • 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 V026-4625 available by request