5921-0080 Screening compound: 3-[(5-butyl-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-propanol

5921-0080 Screening compound: 3-[(5-butyl-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-propanol
5921-0080 Screening compound: 3-[(5-butyl-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-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5921-0080
3-[(5-butyl-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-propanol

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

5921-0080

Molecular Formula

C21H28N4O2S (C21 H28 N4 O2 S)

Compound Name

3-[(5-butyl-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-propanol

IUPAC name

3-({8-butyl-44-dimethyl-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)propan-1-ol

SMILES

CCCCc1c(COC(C)(C)C2)c2c(c2ncnc(NCCCO)c2s2)c2n1

InChI

InChI=1S/C21H28N4O2S/c1-4-5-7-15-14-11-27-21(2,3)10-13(14)16-17-18(28-20(16)25-15)19(24-12-23-17)22-8-6-9-26/h12,26H,4-11H2,1-3H3,(H,22,23,24)

InChI Key

BNAIPKTZEDKWNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01876405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.719

Distribution Coefficient, logD

4.718

Water Solubility, LogSw

-4.78

Polar Surface Area

66.780

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

5921-0080 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 5921-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5921-0080?
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What is the minimum amount of 5921-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5921-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5921-0080
  • 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 5921-0080 available by request