8012-1060 Screening compound: methyl 3'-(4-methoxyphenyl)-3H,3'H-spiro[1,3-benzothiazole-2,2'-[1,3,4]thiadiazole]-5'-carboxylate

8012-1060 Screening compound: methyl 3'-(4-methoxyphenyl)-3H,3'H-spiro[1,3-benzothiazole-2,2'-[1,3,4]thiadiazole]-5'-carboxylate
8012-1060 Screening compound: methyl 3'-(4-methoxyphenyl)-3H,3'H-spiro[1,3-benzothiazole-2,2'-[1,3,4]thiadiazole]-5'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-1060
methyl 3'-(4-methoxyphenyl)-3H,3'H-spiro[1,3-benzothiazole-2,2'-[1,3,4]thiadiazole]-5'-carboxylate

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

8012-1060

Molecular Formula

C17H15N3O3S2 (C17 H15 N3 O3 S2)

Compound Name

methyl 3'-(4-methoxyphenyl)-3H,3'H-spiro[1,3-benzothiazole-2,2'-[1,3,4]thiadiazole]-5'-carboxylate

IUPAC name

methyl 3'-(4-methoxyphenyl)-3H3'H-spiro[13-benzothiazole-22'-[134]thiadiazole]-5'-carboxylate

SMILES

COC(C(SC12Sc(cccc3)c3N2)=NN1c(cc1)ccc1OC)=O

InChI

InChI=1S/C17H15N3O3S2/c1-22-12-9-7-11(8-10-12)20-17(25-15(19-20)16(21)23-2)18-13-5-3-4-6-14(13)24-17/h3-10,18H,1-2H3/t17-/m0/s1

InChI Key

PNZBHDGDDYMDEJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02933937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.148

Distribution Coefficient, logD

4.148

Water Solubility, LogSw

-4.24

Polar Surface Area

52.460

Acid Dissociation Constant (pKa)

17.53

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

8012-1060 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-1060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-1060?
Check Price and Availability of 8012-1060, 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 8012-1060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-1060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-1060
  • 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 8012-1060 available by request