8018-8201 Screening compound: 4-(methoxymethyl)-2-methyl-5,6-dihydropyrido[3'',2'':4',5']thieno[3',2':4,5]pyrimido[1,6-a][1,3]benzimidazole

8018-8201 Screening compound: 4-(methoxymethyl)-2-methyl-5,6-dihydropyrido[3'',2'':4',5']thieno[3',2':4,5]pyrimido[1,6-a][1,3]benzimidazole
8018-8201 Screening compound: 4-(methoxymethyl)-2-methyl-5,6-dihydropyrido[3'',2'':4',5']thieno[3',2':4,5]pyrimido[1,6-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8201
4-(methoxymethyl)-2-methyl-5,6-dihydropyrido[3'',2'':4',5']thieno[3',2':4,5]pyrimido[1,6-a][1,3]benzimidazole

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

8018-8201

Molecular Formula

C18H16N4OS (C18 H16 N4 OS)

Compound Name

4-(methoxymethyl)-2-methyl-5,6-dihydropyrido[3'',2'':4',5']thieno[3',2':4,5]pyrimido[1,6-a][1,3]benzimidazole

IUPAC name

8-(methoxymethyl)-6-methyl-3-thia-5111320-tetraazapentacyclo[11.7.0.0^{210}.0^{49}.0^{1419}]icosa-1(20)2(10)46814(19)1517-octaene

SMILES

Cc1cc(COC)c(c(NCn2c-3nc4c2cccc4)c3s2)c2n1

InChI

InChI=1S/C18H16N4OS/c1-10-7-11(8-23-2)14-15-16(24-18(14)20-10)17-21-12-5-3-4-6-13(12)22(17)9-19-15/h3-7,19H,8-9H2,1-2H3

InChI Key

IGQYJXFLNCWKOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06093758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.423

Distribution Coefficient, logD

3.369

Water Solubility, LogSw

-3.87

Polar Surface Area

36.367

Acid Dissociation Constant (pKa)

18.63

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8018-8201 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8018-8201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8201?
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What is the minimum amount of 8018-8201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8201
  • 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 8018-8201 available by request