1332-0041 Screening compound: (E)-1-(2-nitrophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine

1332-0041 Screening compound: (E)-1-(2-nitrophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine
1332-0041 Screening compound: (E)-1-(2-nitrophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1332-0041
(E)-1-(2-nitrophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine

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

1332-0041

Molecular Formula

C14H13N3O2S (C14 H13 N3 O2 S)

Compound Name

(E)-1-(2-nitrophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine

IUPAC name

(E)-1-(2-nitrophenyl)-N-(4567-tetrahydro-13-benzothiazol-2-yl)methanimine

SMILES

[O-][N+](c1c(/C=N/c2nc(CCCC3)c3s2)cccc1)=O

InChI

InChI=1S/C14H13N3O2S/c18-17(19)12-7-3-1-5-10(12)9-15-14-16-11-6-2-4-8-13(11)20-14/h1,3,5,7,9H,2,4,6,8H2

InChI Key

XNMBJHADWKKFCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00718349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.045

Distribution Coefficient, logD

4.045

Water Solubility, LogSw

-4.30

Polar Surface Area

52.914

Acid Dissociation Constant (pKa)

25.78

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 1332-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1332-0041?
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What is the minimum amount of 1332-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1332-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1332-0041
  • 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 1332-0041 available by request