8009-4527 Screening compound: (NE,E)-N'-[(1,3-benzothiazol-2-yl)amino]-N-[(4-chlorophenyl)imino]ethanimidamide

8009-4527 Screening compound: (NE,E)-N'-[(1,3-benzothiazol-2-yl)amino]-N-[(4-chlorophenyl)imino]ethanimidamide
8009-4527 Screening compound: (NE,E)-N'-[(1,3-benzothiazol-2-yl)amino]-N-[(4-chlorophenyl)imino]ethanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4527
(NE,E)-N'-[(1,3-benzothiazol-2-yl)amino]-N-[(4-chlorophenyl)imino]ethanimidamide

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

8009-4527

Molecular Formula

C15H12ClN5S (C15 H12 ClN5 S)

Compound Name

(NE,E)-N'-[(1,3-benzothiazol-2-yl)amino]-N-[(4-chlorophenyl)imino]ethanimidamide

IUPAC name

(NEE)-N'-[(13-benzothiazol-2-yl)amino]-N-[(4-chlorophenyl)imino]ethanimidamide

SMILES

C/C(/N=N/c(cc1)ccc1Cl)=N\Nc1nc(cccc2)c2s1

InChI

InChI=1S/C15H12ClN5S/c1-10(18-20-12-8-6-11(16)7-9-12)19-21-15-17-13-4-2-3-5-14(13)22-15/h2-9H,1H3,(H,17,21)

InChI Key

QVIOWDRKBVRBOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.868

Distribution Coefficient, logD

5.868

Water Solubility, LogSw

-6.21

Polar Surface Area

52.565

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8009-4527 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-4527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4527?
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What is the minimum amount of 8009-4527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4527
  • 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 8009-4527 available by request