8640-0577 Screening compound: 2-[(2,2-dimethyl-5-phenyl-2,3-dihydro-1H-pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino]-1-ethanol

8640-0577 Screening compound: 2-[(2,2-dimethyl-5-phenyl-2,3-dihydro-1H-pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino]-1-ethanol
8640-0577 Screening compound: 2-[(2,2-dimethyl-5-phenyl-2,3-dihydro-1H-pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino]-1-ethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0577
2-[(2,2-dimethyl-5-phenyl-2,3-dihydro-1H-pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino]-1-ethanol

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

8640-0577

Molecular Formula

C22H22N4O2S (C22 H22 N4 O2 S)

Compound Name

2-[(2,2-dimethyl-5-phenyl-2,3-dihydro-1H-pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino]-1-ethanol

IUPAC name

2-({44-dimethyl-8-phenyl-6-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-yl}amino)ethan-1-ol

SMILES

CC1(C)COc2c(-c3ccccc3)nc3sc4c(NCCO)ncnc4c3c2C1

InChI

InChI=1S/C22H22N4O2S/c1-22(2)10-14-15-17-19(20(23-8-9-27)25-12-24-17)29-21(15)26-16(18(14)28-11-22)13-6-4-3-5-7-13/h3-7,12,27H,8-11H2,1-2H3,(H,23,24,25)

InChI Key

RARHPZUDJHHHIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01562616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.457

Distribution Coefficient, logD

4.456

Water Solubility, LogSw

-4.54

Polar Surface Area

66.450

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

8640-0577 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8640-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0577?
Check Price and Availability of 8640-0577, 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 8640-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0577
  • 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 8640-0577 available by request