8017-6421 Screening compound: 5-(2-furyl)-2,2-dimethyl-8-(4-methylpiperidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

8017-6421 Screening compound: 5-(2-furyl)-2,2-dimethyl-8-(4-methylpiperidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
8017-6421 Screening compound: 5-(2-furyl)-2,2-dimethyl-8-(4-methylpiperidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6421
5-(2-furyl)-2,2-dimethyl-8-(4-methylpiperidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

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

8017-6421

Molecular Formula

C24H26N4O2S (C24 H26 N4 O2 S)

Compound Name

5-(2-furyl)-2,2-dimethyl-8-(4-methylpiperidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

IUPAC name

8-(furan-2-yl)-44-dimethyl-13-(4-methylpiperidin-1-yl)-5-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaene

SMILES

CC(CC1)CCN1c1c2sc3nc(-c4ccco4)c(COC(C)(C)C4)c4c3c2ncn1

InChI

InChI=1S/C24H26N4O2S/c1-14-6-8-28(9-7-14)22-21-20(25-13-26-22)18-15-11-24(2,3)30-12-16(15)19(27-23(18)31-21)17-5-4-10-29-17/h4-5,10,13-14H,6-9,11-12H2,1-3H3

InChI Key

DILQGPORYTYRMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02241761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.993

Distribution Coefficient, logD

5.991

Water Solubility, LogSw

-5.95

Polar Surface Area

50.335

Acid Dissociation Constant (pKa)

21.12

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

References: we are preparing a list of scientific research reports with 8017-6421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6421?
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What is the minimum amount of 8017-6421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6421
  • 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 8017-6421 available by request