1071-0028 Screening compound: 2-[(2E)-2-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-1,3-benzothiazole

1071-0028 Screening compound: 2-[(2E)-2-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-1,3-benzothiazole
1071-0028 Screening compound: 2-[(2E)-2-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1071-0028
2-[(2E)-2-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-1,3-benzothiazole

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

1071-0028

Molecular Formula

C22H18N4O4S (C22 H18 N4 O4 S)

Compound Name

2-[(2E)-2-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-1,3-benzothiazole

IUPAC name

2-[(2E)-2-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-13-benzothiazole

SMILES

COc(cc(/C=N/Nc1nc(cccc2)c2s1)cc1)c1OCc(cccc1)c1[N+]([O-])=O

InChI

InChI=1S/C22H18N4O4S/c1-29-20-12-15(13-23-25-22-24-17-7-3-5-9-21(17)31-22)10-11-19(20)30-14-16-6-2-4-8-18(16)26(27)28/h2-13H,14H2,1H3,(H,24,25)

InChI Key

KJBPOBZAAJYKJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00615679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.677

Distribution Coefficient, logD

5.674

Water Solubility, LogSw

-5.56

Polar Surface Area

79.162

Acid Dissociation Constant (pKa)

15.32

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

1071-0028 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1071-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1071-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1071-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1071-0028
  • 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 1071-0028 available by request