6940-0080 Screening compound: N-isobutyl-N-(5-isopropyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amine

6940-0080 Screening compound: N-isobutyl-N-(5-isopropyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amine
6940-0080 Screening compound: N-isobutyl-N-(5-isopropyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6940-0080
N-isobutyl-N-(5-isopropyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amine

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

6940-0080

Molecular Formula

C21H28N4OS (C21 H28 N4 OS)

Compound Name

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

IUPAC name

44-dimethyl-N-(2-methylpropyl)-8-(propan-2-yl)-5-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-amine

SMILES

CC(C)CNc1c2sc3nc(C(C)C)c(COC(C)(C)C4)c4c3c2ncn1

InChI

InChI=1S/C21H28N4OS/c1-11(2)8-22-19-18-17(23-10-24-19)15-13-7-21(5,6)26-9-14(13)16(12(3)4)25-20(15)27-18/h10-12H,7-9H2,1-6H3,(H,22,23,24)

InChI Key

ZNVUBDQGUBVRAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02240805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.108

Distribution Coefficient, logD

6.107

Water Solubility, LogSw

-5.77

Polar Surface Area

49.788

Acid Dissociation Constant (pKa)

19.61

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

6940-0080 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6940-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6940-0080?
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What is the minimum amount of 6940-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6940-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6940-0080
  • 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 6940-0080 available by request