V003-9817 Screening compound: 4-({1-cyclobutyl-N-[(furan-2-yl)methyl]formamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate

V003-9817 Screening compound: 4-({1-cyclobutyl-N-[(furan-2-yl)methyl]formamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
V003-9817 Screening compound: 4-({1-cyclobutyl-N-[(furan-2-yl)methyl]formamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9817
4-({1-cyclobutyl-N-[(furan-2-yl)methyl]formamido}methyl)phenyl 2-chloro-6-methylbenzene-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

V003-9817

Molecular Formula

C24H24ClNO5S (C24 H24 ClNO5 S)

Compound Name

4-({1-cyclobutyl-N-[(furan-2-yl)methyl]formamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate

IUPAC name

4-({1-cyclobutyl-N-[(furan-2-yl)methyl]formamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate

SMILES

Cc1cccc(Cl)c1S(Oc1ccc(CN(Cc2ccco2)C(C2CCC2)=O)cc1)(=O)=O

InChI

InChI=1S/C24H24ClNO5S/c1-17-5-2-9-22(25)23(17)32(28,29)31-20-12-10-18(11-13-20)15-26(16-21-8-4-14-30-21)24(27)19-6-3-7-19/h2,4-5,8-14,19H,3,6-7,15-16H2,1H3

InChI Key

DIMCADOMGPZQMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.401

Distribution Coefficient, logD

4.401

Water Solubility, LogSw

-4.42

Polar Surface Area

60.211

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

V003-9817 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 V003-9817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9817?
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What is the minimum amount of V003-9817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9817
  • 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 V003-9817 available by request