D148-5029 Screening compound: 9-(methoxymethyl)-7-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

D148-5029 Screening compound: 9-(methoxymethyl)-7-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
D148-5029 Screening compound: 9-(methoxymethyl)-7-methyl-3-[3-(trifluoromethyl)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 D148-5029
9-(methoxymethyl)-7-methyl-3-[3-(trifluoromethyl)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

D148-5029

Molecular Formula

C19H16F3N3O2S (C19 H16 F3 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(COC)c(c(NCN(c2cc(C(F)(F)F)ccc2)C2=O)c2s2)c2n1

InChI

InChI=1S/C19H16F3N3O2S/c1-10-6-11(8-27-2)14-15-16(28-17(14)24-10)18(26)25(9-23-15)13-5-3-4-12(7-13)19(20,21)22/h3-7,23H,8-9H2,1-2H3

InChI Key

CAZYEVCFHLYOSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06093782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.721

Distribution Coefficient, logD

3.720

Water Solubility, LogSw

-4.16

Polar Surface Area

42.322

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D148-5029 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D148-5029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D148-5029?
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What is the minimum amount of D148-5029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D148-5029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D148-5029
  • 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 D148-5029 available by request