D149-0231 Screening compound: 8-bromo-9-(methoxymethyl)-7-methyl-3-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

D149-0231 Screening compound: 8-bromo-9-(methoxymethyl)-7-methyl-3-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
D149-0231 Screening compound: 8-bromo-9-(methoxymethyl)-7-methyl-3-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D149-0231
8-bromo-9-(methoxymethyl)-7-methyl-3-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

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

D149-0231

Molecular Formula

C18H16BrN3O2S (C18 H16 BrN3 O2 S)

Compound Name

8-bromo-9-(methoxymethyl)-7-methyl-3-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

IUPAC name

12-bromo-13-(methoxymethyl)-11-methyl-5-phenyl-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)911-tetraen-6-one

SMILES

Cc1nc(sc2c3NCN(c4ccccc4)C2=O)c3c(COC)c1Br

InChI

InChI=1S/C18H16BrN3O2S/c1-10-14(19)12(8-24-2)13-15-16(25-17(13)21-10)18(23)22(9-20-15)11-6-4-3-5-7-11/h3-7,20H,8-9H2,1-2H3

InChI Key

LOIMKIJFGFATJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.622

Distribution Coefficient, logD

3.622

Water Solubility, LogSw

-4.13

Polar Surface Area

43.092

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D149-0231 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

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

KRAS-Targeted Library (16000 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D149-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D149-0231?
Check Price and Availability of D149-0231, 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 D149-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D149-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D149-0231
  • 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 D149-0231 available by request