4052-3070 Screening compound: 2-methyl-4-[(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

4052-3070 Screening compound: 2-methyl-4-[(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
4052-3070 Screening compound: 2-methyl-4-[(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-3070
2-methyl-4-[(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

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

4052-3070

Molecular Formula

C21H17N3OS3 (C21 H17 N3 OS3)

Compound Name

2-methyl-4-[(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

IUPAC name

5-methyl-3-({4-methyl-512-dithia-3-azatricyclo[7.3.0.0^{26}]dodeca-1(9)2(6)3710-pentaen-8-yl}oxy)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

Cc(sc1c2)nc1c1sccc1c2Oc1c(c(CCCC2)c2s2)c2nc(C)n1

InChI

InChI=1S/C21H17N3OS3/c1-10-22-20(17-13-5-3-4-6-15(13)28-21(17)23-10)25-14-9-16-18(24-11(2)27-16)19-12(14)7-8-26-19/h7-9H,3-6H2,1-2H3

InChI Key

POUFOOTXLKTLKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02329786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.513

Distribution Coefficient, logD

6.513

Water Solubility, LogSw

-6.07

Polar Surface Area

38.084

Acid Dissociation Constant (pKa)

25.24

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4052-3070 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4052-3070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-3070?
Check Price and Availability of 4052-3070, 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 4052-3070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-3070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-3070
  • 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 4052-3070 available by request