8016-6484 Screening compound: 2'-amino-7',9'-dimethyl-4-phenylspiro[cyclohexane-1,4'-pyrano[2',3':4,5]thieno[2,3-b]pyridine]-3'-carbonitrile

8016-6484 Screening compound: 2'-amino-7',9'-dimethyl-4-phenylspiro[cyclohexane-1,4'-pyrano[2',3':4,5]thieno[2,3-b]pyridine]-3'-carbonitrile
8016-6484 Screening compound: 2'-amino-7',9'-dimethyl-4-phenylspiro[cyclohexane-1,4'-pyrano[2',3':4,5]thieno[2,3-b]pyridine]-3'-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6484
2'-amino-7',9'-dimethyl-4-phenylspiro[cyclohexane-1,4'-pyrano[2',3':4,5]thieno[2,3-b]pyridine]-3'-carbonitrile

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

8016-6484

Molecular Formula

C24H23N3OS (C24 H23 N3 OS)

Compound Name

2'-amino-7',9'-dimethyl-4-phenylspiro[cyclohexane-1,4'-pyrano[2',3':4,5]thieno[2,3-b]pyridine]-3'-carbonitrile

IUPAC name

4'-amino-11'13'-dimethyl-4-phenyl-3'-oxa-8'-thia-10'-azaspiro[cyclohexane-16'-tricyclo[7.4.0.0^{27}]tridecane]-1'(9')2'(7')4'10'12'-pentaene-5'-carbonitrile

SMILES

Cc1c(c(OC(N)=C(C2(CC3)CCC3c3ccccc3)C#N)c2s2)c2nc(C)c1

InChI

InChI=1S/C24H23N3OS/c1-14-12-15(2)27-23-19(14)20-21(29-23)24(18(13-25)22(26)28-20)10-8-17(9-11-24)16-6-4-3-5-7-16/h3-7,12,17H,8-11,26H2,1-2H3

InChI Key

DTLCGEZGLGULNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.574

Distribution Coefficient, logD

5.574

Water Solubility, LogSw

-5.81

Polar Surface Area

55.426

Acid Dissociation Constant (pKa)

16.02

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8016-6484 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-6484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6484?
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What is the minimum amount of 8016-6484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6484
  • 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 8016-6484 available by request