6583-0050 Screening compound: 2-[(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)sulfanyl]-N~1~-(2-methoxyphenyl)acetamide

6583-0050 Screening compound: 2-[(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)sulfanyl]-N~1~-(2-methoxyphenyl)acetamide
6583-0050 Screening compound: 2-[(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)sulfanyl]-N~1~-(2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6583-0050
2-[(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)sulfanyl]-N~1~-(2-methoxyphenyl)acetamide

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

6583-0050

Molecular Formula

C27H29N5O4S2 (C27 H29 N5 O4 S2)

Compound Name

2-[(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)sulfanyl]-N~1~-(2-methoxyphenyl)acetamide

IUPAC name

2-{[44-dimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-17912(17)1315-hexaen-13-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide

SMILES

CC(C)(Cc1c2c3ncn4)OCc1c(N1CCOCC1)nc2sc3c4SCC(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C27H29N5O4S2/c1-27(2)12-16-17(13-36-27)24(32-8-10-35-11-9-32)31-25-21(16)22-23(38-25)26(29-15-28-22)37-14-20(33)30-18-6-4-5-7-19(18)34-3/h4-7,15H,8-14H2,1-3H3,(H,30,33)

InChI Key

KWVUBQKJVQAUTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02995988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.950

Distribution Coefficient, logD

4.950

Water Solubility, LogSw

-4.84

Polar Surface Area

79.108

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

6583-0050 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6583-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6583-0050?
Check Price and Availability of 6583-0050, 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 6583-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6583-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6583-0050
  • 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 6583-0050 available by request