8015-5251 Screening compound: (2,6-dimethyl-5,6-dihydropyrido[3'',2'':4',5']thieno[3',2':4,5]pyrimido[1,6-a][1,3]benzimidazol-4-yl)methyl methyl ether

8015-5251 Screening compound: (2,6-dimethyl-5,6-dihydropyrido[3'',2'':4',5']thieno[3',2':4,5]pyrimido[1,6-a][1,3]benzimidazol-4-yl)methyl methyl ether
8015-5251 Screening compound: (2,6-dimethyl-5,6-dihydropyrido[3'',2'':4',5']thieno[3',2':4,5]pyrimido[1,6-a][1,3]benzimidazol-4-yl)methyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5251
(2,6-dimethyl-5,6-dihydropyrido[3'',2'':4',5']thieno[3',2':4,5]pyrimido[1,6-a][1,3]benzimidazol-4-yl)methyl methyl ether

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

8015-5251

Molecular Formula

C19H18N4OS (C19 H18 N4 OS)

Compound Name

(2,6-dimethyl-5,6-dihydropyrido[3'',2'':4',5']thieno[3',2':4,5]pyrimido[1,6-a][1,3]benzimidazol-4-yl)methyl methyl ether

IUPAC name

8-(methoxymethyl)-612-dimethyl-3-thia-5111320-tetraazapentacyclo[11.7.0.0^{210}.0^{49}.0^{1419}]icosa-1(20)2(10)46814(19)1517-octaene

SMILES

CC(Nc1c-2sc3nc(C)cc(COC)c13)n1c2nc2c1cccc2

InChI

InChI=1S/C19H18N4OS/c1-10-8-12(9-24-3)15-16-17(25-19(15)20-10)18-22-13-6-4-5-7-14(13)23(18)11(2)21-16/h4-8,11,21H,9H2,1-3H3/t11-/m1/s1

InChI Key

YGRXLJKYKAYKJQ-LLVKDONJSA-N

MDL Number (MFCD)

MFCD04062013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.44

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

3.615

Distribution Coefficient, logD

3.592

Water Solubility, LogSw

-3.90

Polar Surface Area

37.488

Acid Dissociation Constant (pKa)

17.48

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

8015-5251 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8015-5251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5251?
Check Price and Availability of 8015-5251, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8015-5251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5251
  • 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 8015-5251 available by request