4965-0171 Screening compound: N-(2-morpholinoethyl)-N-(2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amine

4965-0171 Screening compound: N-(2-morpholinoethyl)-N-(2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amine
4965-0171 Screening compound: N-(2-morpholinoethyl)-N-(2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4965-0171
N-(2-morpholinoethyl)-N-(2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-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

4965-0171

Molecular Formula

C21H27N5O2S (C21 H27 N5 O2 S)

Compound Name

N-(2-morpholinoethyl)-N-(2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amine

IUPAC name

5513-trimethyl-N-[2-(morpholin-4-yl)ethyl]-6-oxa-17-thia-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)2811(16)1214-hexaen-15-amine

SMILES

CC(C)(C1)OCc2c1nc1sc3c(NCCN4CCOCC4)nc(C)nc3c1c2

InChI

InChI=1S/C21H27N5O2S/c1-13-23-17-15-10-14-12-28-21(2,3)11-16(14)25-20(15)29-18(17)19(24-13)22-4-5-26-6-8-27-9-7-26/h10H,4-9,11-12H2,1-3H3,(H,22,23,24)

InChI Key

BBXRQZCFGLSDHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02986609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.169

Distribution Coefficient, logD

2.908

Water Solubility, LogSw

-3.12

Polar Surface Area

60.354

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

7.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with 4965-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4965-0171?
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What is the minimum amount of 4965-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4965-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4965-0171
  • 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 4965-0171 available by request