8013-2497 Screening compound: N-[2-(diethylamino)ethyl]-N-(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amine

8013-2497 Screening compound: N-[2-(diethylamino)ethyl]-N-(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amine
8013-2497 Screening compound: N-[2-(diethylamino)ethyl]-N-(8,8-dimethyl-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 8013-2497
N-[2-(diethylamino)ethyl]-N-(8,8-dimethyl-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

8013-2497

Molecular Formula

C20H27N5OS (C20 H27 N5 OS)

Compound Name

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

IUPAC name

N-[2-(diethylamino)ethyl]-55-dimethyl-6-oxa-17-thia-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)2811(16)1214-hexaen-15-amine

SMILES

CCN(CC)CCNc1c2sc3nc(CC(C)(C)OC4)c4cc3c2ncn1

InChI

InChI=1S/C20H27N5OS/c1-5-25(6-2)8-7-21-18-17-16(22-12-23-18)14-9-13-11-26-20(3,4)10-15(13)24-19(14)27-17/h9,12H,5-8,10-11H2,1-4H3,(H,21,22,23)

InChI Key

OHJRQWAPURIHBO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.119

Distribution Coefficient, logD

2.126

Water Solubility, LogSw

-4.11

Polar Surface Area

53.771

Acid Dissociation Constant (pKa)

17.32

Base Dissociation Constant (pKb)

9.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

References: we are preparing a list of scientific research reports with 8013-2497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2497?
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What is the minimum amount of 8013-2497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2497
  • 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 8013-2497 available by request