1822-0349 Screening compound: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-1-(1,3-benzothiazol-2-ylsulfanyl)-2-(methoxyimino)ethan-1-one

1822-0349 Screening compound: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-1-(1,3-benzothiazol-2-ylsulfanyl)-2-(methoxyimino)ethan-1-one
1822-0349 Screening compound: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-1-(1,3-benzothiazol-2-ylsulfanyl)-2-(methoxyimino)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1822-0349
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-1-(1,3-benzothiazol-2-ylsulfanyl)-2-(methoxyimino)ethan-1-one

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

1822-0349

Molecular Formula

C13H10N4O2S3 (C13 H10 N4 O2 S3)

Compound Name

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-1-(1,3-benzothiazol-2-ylsulfanyl)-2-(methoxyimino)ethan-1-one

IUPAC name

(2Z)-2-(2-amino-13-thiazol-4-yl)-1-(13-benzothiazol-2-ylsulfanyl)-2-(methoxyimino)ethan-1-one

SMILES

CO/N=C(\C(Sc1nc(cccc2)c2s1)=O)/c1csc(N)n1

InChI

InChI=1S/C13H10N4O2S3/c1-19-17-10(8-6-20-12(14)15-8)11(18)22-13-16-7-4-2-3-5-9(7)21-13/h2-6H,1H3,(H2,14,15)

InChI Key

COFDRZLHVALCDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00071547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.793

Distribution Coefficient, logD

3.793

Water Solubility, LogSw

-4.09

Polar Surface Area

70.905

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

1822-0349 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1822-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1822-0349?
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What is the minimum amount of 1822-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1822-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1822-0349
  • 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 1822-0349 available by request