D149-0138 Screening compound: 9'-(methoxymethyl)-3'-(4-methoxyphenyl)-7'-methyl-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin]-4'(3'H)-one

D149-0138 Screening compound: 9'-(methoxymethyl)-3'-(4-methoxyphenyl)-7'-methyl-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin]-4'(3'H)-one
D149-0138 Screening compound: 9'-(methoxymethyl)-3'-(4-methoxyphenyl)-7'-methyl-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin]-4'(3'H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D149-0138
9'-(methoxymethyl)-3'-(4-methoxyphenyl)-7'-methyl-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin]-4'(3'H)-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

D149-0138

Molecular Formula

C24H27N3O3S (C24 H27 N3 O3 S)

Compound Name

9'-(methoxymethyl)-3'-(4-methoxyphenyl)-7'-methyl-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin]-4'(3'H)-one

IUPAC name

13'-(methoxymethyl)-5'-(4-methoxyphenyl)-11'-methyl-8'-thia-3'5'10'-triazaspiro[cyclohexane-14'-tricyclo[7.4.0.0^{27}]tridecane]-1'(13')2'(7')9'11'-tetraen-6'-one

SMILES

Cc1cc(COC)c(c(NC2(CCCCC2)N(c(cc2)ccc2OC)C2=O)c2s2)c2n1

InChI

InChI=1S/C24H27N3O3S/c1-15-13-16(14-29-2)19-20-21(31-22(19)25-15)23(28)27(17-7-9-18(30-3)10-8-17)24(26-20)11-5-4-6-12-24/h7-10,13,26H,4-6,11-12,14H2,1-3H3

InChI Key

LPGNDNDVTSVSLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.144

Distribution Coefficient, logD

4.142

Water Solubility, LogSw

-4.44

Polar Surface Area

50.039

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

D149-0138 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D149-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D149-0138?
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What is the minimum amount of D149-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D149-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D149-0138
  • 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 D149-0138 available by request