3049-0308 Screening compound: 2-(4-chloro-2-methylphenoxy)-N~1~-(6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)acetamide

3049-0308 Screening compound: 2-(4-chloro-2-methylphenoxy)-N~1~-(6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)acetamide
3049-0308 Screening compound: 2-(4-chloro-2-methylphenoxy)-N~1~-(6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3049-0308
2-(4-chloro-2-methylphenoxy)-N~1~-(6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)acetamide

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

3049-0308

Molecular Formula

C20H20ClN3O2S (C20 H20 ClN3 O2 S)

Compound Name

2-(4-chloro-2-methylphenoxy)-N~1~-(6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)acetamide

IUPAC name

2-(4-chloro-2-methylphenoxy)-N-{12-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}acetamide

SMILES

CC(CC1)Cc2c1sc1c2c(NC(COc(cc2)c(C)cc2Cl)=O)ncn1

InChI

InChI=1S/C20H20ClN3O2S/c1-11-3-6-16-14(7-11)18-19(22-10-23-20(18)27-16)24-17(25)9-26-15-5-4-13(21)8-12(15)2/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,22,23,24,25)/t11-/m1/s1

InChI Key

GPSZAIULUANNBJ-LLVKDONJSA-N

MDL Number (MFCD)

MFCD02085664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.002

Distribution Coefficient, logD

5.894

Water Solubility, LogSw

-6.24

Polar Surface Area

52.177

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

3049-0308 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

C-Met Library (15277 compounds)

MCL1 Targeted Library (12200 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3049-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3049-0308?
Check Price and Availability of 3049-0308, 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 3049-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3049-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3049-0308
  • 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 3049-0308 available by request