5921-0053 Screening compound: 2-[(5-isobutyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino]-1-ethanol

5921-0053 Screening compound: 2-[(5-isobutyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino]-1-ethanol
5921-0053 Screening compound: 2-[(5-isobutyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':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 5921-0053
2-[(5-isobutyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':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

5921-0053

Molecular Formula

C20H26N4O2S (C20 H26 N4 O2 S)

Compound Name

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

IUPAC name

2-{[44-dimethyl-8-(2-methylpropyl)-5-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

CC(C)Cc1c(COC(C)(C)C2)c2c(c2ncnc(NCCO)c2s2)c2n1

InChI

InChI=1S/C20H26N4O2S/c1-11(2)7-14-13-9-26-20(3,4)8-12(13)15-16-17(27-19(15)24-14)18(21-5-6-25)23-10-22-16/h10-11,25H,5-9H2,1-4H3,(H,21,22,23)

InChI Key

PAGRTMCMYRTTJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01880534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.456

Distribution Coefficient, logD

4.454

Water Solubility, LogSw

-4.41

Polar Surface Area

66.780

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

5921-0053 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5921-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5921-0053?
Check Price and Availability of 5921-0053, 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 5921-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5921-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5921-0053
  • 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 5921-0053 available by request