F485-0553 Screening compound: 3-chloro-4-methoxy-N-[2-(2-phenyl-1H-1,3-benzodiazol-1-yl)ethyl]benzene-1-sulfonamide

F485-0553 Screening compound: 3-chloro-4-methoxy-N-[2-(2-phenyl-1H-1,3-benzodiazol-1-yl)ethyl]benzene-1-sulfonamide
F485-0553 Screening compound: 3-chloro-4-methoxy-N-[2-(2-phenyl-1H-1,3-benzodiazol-1-yl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F485-0553
3-chloro-4-methoxy-N-[2-(2-phenyl-1H-1,3-benzodiazol-1-yl)ethyl]benzene-1-sulfonamide

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

F485-0553

Molecular Formula

C22H20ClN3O3S (C22 H20 ClN3 O3 S)

Compound Name

3-chloro-4-methoxy-N-[2-(2-phenyl-1H-1,3-benzodiazol-1-yl)ethyl]benzene-1-sulfonamide

IUPAC name

3-chloro-4-methoxy-N-[2-(2-phenyl-1H-13-benzodiazol-1-yl)ethyl]benzene-1-sulfonamide

SMILES

COc(ccc(S(NCCn1c(-c2ccccc2)nc2c1cccc2)(=O)=O)c1)c1Cl

InChI

InChI=1S/C22H20ClN3O3S/c1-29-21-12-11-17(15-18(21)23)30(27,28)24-13-14-26-20-10-6-5-9-19(20)25-22(26)16-7-3-2-4-8-16/h2-12,15,24H,13-14H2,1H3

InChI Key

ZTLVZAFDPLLCOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27133838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.121

Distribution Coefficient, logD

5.119

Water Solubility, LogSw

-5.76

Polar Surface Area

59.376

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

F485-0553 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 F485-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F485-0553?
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What is the minimum amount of F485-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F485-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F485-0553
  • 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 F485-0553 available by request