8014-8688 Screening compound: 2-cyclohexyl-9-(methoxymethyl)-7-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

8014-8688 Screening compound: 2-cyclohexyl-9-(methoxymethyl)-7-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
8014-8688 Screening compound: 2-cyclohexyl-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 8014-8688
2-cyclohexyl-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

8014-8688

Molecular Formula

C25H26F3N3O2S (C25 H26 F3 N3 O2 S)

Compound Name

2-cyclohexyl-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

4-cyclohexyl-13-(methoxymethyl)-11-methyl-5-[3-(trifluoromethyl)phenyl]-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-6-one

SMILES

Cc1cc(COC)c(c(NC(C2CCCCC2)N(c2cc(C(F)(F)F)ccc2)C2=O)c2s2)c2n1

InChI

InChI=1S/C25H26F3N3O2S/c1-14-11-16(13-33-2)19-20-21(34-23(19)29-14)24(32)31(22(30-20)15-7-4-3-5-8-15)18-10-6-9-17(12-18)25(26,27)28/h6,9-12,15,22,30H,3-5,7-8,13H2,1-2H3/t22-/m1/s1

InChI Key

KHSBTFGTXGMBMU-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03820542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.488

Distribution Coefficient, logD

5.487

Water Solubility, LogSw

-5.67

Polar Surface Area

42.622

Acid Dissociation Constant (pKa)

14.22

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

8014-8688 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8014-8688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8688?
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What is the minimum amount of 8014-8688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8688
  • 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 8014-8688 available by request