8001-4978 Screening compound: 2-methoxy-4-[(E)-{[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl]phenol

8001-4978 Screening compound: 2-methoxy-4-[(E)-{[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl]phenol
8001-4978 Screening compound: 2-methoxy-4-[(E)-{[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-4978
2-methoxy-4-[(E)-{[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl]phenol

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

8001-4978

Molecular Formula

C22H18N2O2S (C22 H18 N2 O2 S)

Compound Name

2-methoxy-4-[(E)-{[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl]phenol

IUPAC name

2-methoxy-4-[(E)-{[4-(5-methyl-13-benzothiazol-2-yl)phenyl]imino}methyl]phenol

SMILES

Cc(cc1)cc2c1sc(-c(cc1)ccc1/N=C/c(cc1)cc(OC)c1O)n2

InChI

InChI=1S/C22H18N2O2S/c1-14-3-10-21-18(11-14)24-22(27-21)16-5-7-17(8-6-16)23-13-15-4-9-19(25)20(12-15)26-2/h3-13,25H,1-2H3

InChI Key

VROAVKMTJUIOSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02644787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.958

Distribution Coefficient, logD

4.949

Water Solubility, LogSw

-4.37

Polar Surface Area

41.993

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8001-4978 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8001-4978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-4978?
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What is the minimum amount of 8001-4978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-4978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-4978
  • 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 8001-4978 available by request