8017-8751 Screening compound: 2,2-dimethyl-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl isopentyl ether

8017-8751 Screening compound: 2,2-dimethyl-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl isopentyl ether
8017-8751 Screening compound: 2,2-dimethyl-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl isopentyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8751
2,2-dimethyl-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl isopentyl 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

8017-8751

Molecular Formula

C23H30N4O3S (C23 H30 N4 O3 S)

Compound Name

2,2-dimethyl-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl isopentyl ether

IUPAC name

44-dimethyl-13-(3-methylbutoxy)-8-(morpholin-4-yl)-5-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaene

SMILES

CC(C)CCOc1c2sc3nc(N4CCOCC4)c(COC(C)(C)C4)c4c3c2ncn1

InChI

InChI=1S/C23H30N4O3S/c1-14(2)5-8-29-21-19-18(24-13-25-21)17-15-11-23(3,4)30-12-16(15)20(26-22(17)31-19)27-6-9-28-10-7-27/h13-14H,5-12H2,1-4H3

InChI Key

HIRPRXUSRLJRFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04005894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.599

Distribution Coefficient, logD

5.599

Water Solubility, LogSw

-5.71

Polar Surface Area

57.341

Acid Dissociation Constant (pKa)

22.06

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

8017-8751 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-8751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8751?
Check Price and Availability of 8017-8751, 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 8017-8751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8751
  • 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 8017-8751 available by request