3343-0968 Screening compound: methyl 4-{[({naphtho[2,1-d][1,3]thiazol-2-yl}carbamothioyl)amino]carbonyl}benzoate

3343-0968 Screening compound: methyl 4-{[({naphtho[2,1-d][1,3]thiazol-2-yl}carbamothioyl)amino]carbonyl}benzoate
3343-0968 Screening compound: methyl 4-{[({naphtho[2,1-d][1,3]thiazol-2-yl}carbamothioyl)amino]carbonyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3343-0968
methyl 4-{[({naphtho[2,1-d][1,3]thiazol-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

3343-0968

Molecular Formula

C21H15N3O3S2 (C21 H15 N3 O3 S2)

Compound Name

methyl 4-{[({naphtho[2,1-d][1,3]thiazol-2-yl}carbamothioyl)amino]carbonyl}benzoate

IUPAC name

methyl 4-{[({naphtho[21-d][13]thiazol-2-yl}carbamothioyl)amino]carbonyl}benzoate

SMILES

COC(c(cc1)ccc1C(NC(Nc1nc(ccc2ccccc22)c2s1)=S)=O)=O

InChI

InChI=1S/C21H15N3O3S2/c1-27-19(26)14-8-6-13(7-9-14)18(25)23-20(28)24-21-22-16-11-10-12-4-2-3-5-15(12)17(16)29-21/h2-11H,1H3,(H2,22,23,24,25,28)

InChI Key

QUZORURWKPEKDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

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

5.581

Distribution Coefficient, logD

5.581

Water Solubility, LogSw

-6.70

Polar Surface Area

63.903

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

3343-0968 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3343-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3343-0968?
Check Price and Availability of 3343-0968, 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 3343-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3343-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3343-0968
  • 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 3343-0968 available by request