3616-1368 Screening compound: 1-(4-chlorobenzoyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea

3616-1368 Screening compound: 1-(4-chlorobenzoyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea
3616-1368 Screening compound: 1-(4-chlorobenzoyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3616-1368
1-(4-chlorobenzoyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea

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

3616-1368

Molecular Formula

C16H12ClN3O2S2 (C16 H12 ClN3 O2 S2)

Compound Name

1-(4-chlorobenzoyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea

IUPAC name

1-(4-chlorobenzoyl)-3-(6-methoxy-13-benzothiazol-2-yl)thiourea

SMILES

COc(cc1)cc2c1nc(NC(NC(c(cc1)ccc1Cl)=O)=S)s2

InChI

InChI=1S/C16H12ClN3O2S2/c1-22-11-6-7-12-13(8-11)24-16(18-12)20-15(23)19-14(21)9-2-4-10(17)5-3-9/h2-8H,1H3,(H2,18,19,20,21,23)

InChI Key

SYADKCLRNHDZAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02635079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.916

Distribution Coefficient, logD

4.911

Water Solubility, LogSw

-5.16

Polar Surface Area

50.545

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

3616-1368 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3616-1368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3616-1368?
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What is the minimum amount of 3616-1368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3616-1368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3616-1368
  • 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 3616-1368 available by request