D148-5049 Screening compound: N~1~-{4-[9-(methoxymethyl)-7-methyl-3-(4-methylphenyl)-4-oxo-1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]phenyl}acetamide

D148-5049 Screening compound: N~1~-{4-[9-(methoxymethyl)-7-methyl-3-(4-methylphenyl)-4-oxo-1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]phenyl}acetamide
D148-5049 Screening compound: N~1~-{4-[9-(methoxymethyl)-7-methyl-3-(4-methylphenyl)-4-oxo-1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D148-5049
N~1~-{4-[9-(methoxymethyl)-7-methyl-3-(4-methylphenyl)-4-oxo-1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]phenyl}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

D148-5049

Molecular Formula

C27H26N4O3S (C27 H26 N4 O3 S)

Compound Name

N~1~-{4-[9-(methoxymethyl)-7-methyl-3-(4-methylphenyl)-4-oxo-1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]phenyl}acetamide

IUPAC name

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

SMILES

CC(Nc1ccc(C(Nc2c3sc4nc(C)cc(COC)c24)N(c2ccc(C)cc2)C3=O)cc1)=O

InChI

InChI=1S/C27H26N4O3S/c1-15-5-11-21(12-6-15)31-25(18-7-9-20(10-8-18)29-17(3)32)30-23-22-19(14-34-4)13-16(2)28-26(22)35-24(23)27(31)33/h5-13,25,30H,14H2,1-4H3,(H,29,32)/t25-/m1/s1

InChI Key

VHDFTHCZZBPORS-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14812775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.977

Distribution Coefficient, logD

3.976

Water Solubility, LogSw

-4.17

Polar Surface Area

65.692

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

D148-5049 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D148-5049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D148-5049?
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What is the minimum amount of D148-5049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D148-5049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D148-5049
  • 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 D148-5049 available by request