3343-1010 Screening compound: methyl 4-({[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}carbonyl)benzoate

3343-1010 Screening compound: methyl 4-({[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}carbonyl)benzoate
3343-1010 Screening compound: methyl 4-({[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}carbonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3343-1010
methyl 4-({[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}carbonyl)benzoate

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

3343-1010

Molecular Formula

C18H19N3O3S2 (C18 H19 N3 O3 S2)

Compound Name

methyl 4-({[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]amino}carbonyl)benzoate

IUPAC name

methyl 4-({[(6-methyl-4567-tetrahydro-13-benzothiazol-2-yl)carbamothioyl]amino}carbonyl)benzoate

SMILES

CC(CC1)Cc2c1nc(NC(NC(c(cc1)ccc1C(OC)=O)=O)=S)s2

InChI

InChI=1S/C18H19N3O3S2/c1-10-3-8-13-14(9-10)26-18(19-13)21-17(25)20-15(22)11-4-6-12(7-5-11)16(23)24-2/h4-7,10H,3,8-9H2,1-2H3,(H2,19,20,21,22,25)/t10-/m1/s1

InChI Key

JREVYJMTWGENOB-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD03015798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.657

Distribution Coefficient, logD

4.617

Water Solubility, LogSw

-4.38

Polar Surface Area

65.881

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

3343-1010 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3343-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3343-1010?
Check Price and Availability of 3343-1010, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3343-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3343-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3343-1010
  • 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 3343-1010 available by request