D148-5031 Screening compound: 2-{9-(methoxymethyl)-7-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl}benzoic acid

D148-5031 Screening compound: 2-{9-(methoxymethyl)-7-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl}benzoic acid
D148-5031 Screening compound: 2-{9-(methoxymethyl)-7-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D148-5031
2-{9-(methoxymethyl)-7-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl}benzoic acid

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

D148-5031

Molecular Formula

C26H20F3N3O4S (C26 H20 F3 N3 O4 S)

Compound Name

2-{9-(methoxymethyl)-7-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl}benzoic acid

IUPAC name

2-[13-(methoxymethyl)-11-methyl-6-oxo-5-[3-(trifluoromethyl)phenyl]-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)911-tetraen-4-yl]benzoic acid

SMILES

Cc1cc(COC)c(c(NC(c(cccc2)c2C(O)=O)N(c2cc(C(F)(F)F)ccc2)C2=O)c2s2)c2n1

InChI

InChI=1S/C26H20F3N3O4S/c1-13-10-14(12-36-2)19-20-21(37-23(19)30-13)24(33)32(16-7-5-6-15(11-16)26(27,28)29)22(31-20)17-8-3-4-9-18(17)25(34)35/h3-11,22,31H,12H2,1-2H3,(H,34,35)/t22-/m1/s1

InChI Key

IJBOISUJXHVRGL-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14812768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.898

Distribution Coefficient, logD

0.436

Water Solubility, LogSw

-4.62

Polar Surface Area

70.838

Acid Dissociation Constant (pKa)

2.94

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

D148-5031 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D148-5031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D148-5031?
Check Price and Availability of D148-5031, 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 D148-5031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D148-5031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D148-5031
  • 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 D148-5031 available by request