V027-4416 Screening compound: 4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl 2,4-dichlorobenzene-1-sulfonate

V027-4416 Screening compound: 4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl 2,4-dichlorobenzene-1-sulfonate
V027-4416 Screening compound: 4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl 2,4-dichlorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4416
4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl 2,4-dichlorobenzene-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

V027-4416

Molecular Formula

C21H15Cl2NO4S (C21 H15 Cl2 NO4 S)

Compound Name

4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl 2,4-dichlorobenzene-1-sulfonate

IUPAC name

4-methyl-2-(5-methyl-13-benzoxazol-2-yl)phenyl 24-dichlorobenzene-1-sulfonate

SMILES

Cc(cc1)cc2c1oc(-c(cc(C)cc1)c1OS(c(ccc(Cl)c1)c1Cl)(=O)=O)n2

InChI

InChI=1S/C21H15Cl2NO4S/c1-12-3-6-18(28-29(25,26)20-8-5-14(22)11-16(20)23)15(9-12)21-24-17-10-13(2)4-7-19(17)27-21/h3-11H,1-2H3

InChI Key

IACNSNFWZGHVFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19794873

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

448.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.045

Distribution Coefficient, logD

6.045

Water Solubility, LogSw

-6.18

Polar Surface Area

52.897

Acid Dissociation Constant (pKa)

28.01

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

V027-4416 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 V027-4416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4416?
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What is the minimum amount of V027-4416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4416
  • 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 V027-4416 available by request