8015-1541 Screening compound: 5-methoxy-2-(6-methoxy-1,2,3,9a-tetrahydro-3aH-spiro[cyclopenta[b]chromene-9,1'-cyclopentan]-3a-yl)phenyl 4-methylbenzenesulfonate

8015-1541 Screening compound: 5-methoxy-2-(6-methoxy-1,2,3,9a-tetrahydro-3aH-spiro[cyclopenta[b]chromene-9,1'-cyclopentan]-3a-yl)phenyl 4-methylbenzenesulfonate
8015-1541 Screening compound: 5-methoxy-2-(6-methoxy-1,2,3,9a-tetrahydro-3aH-spiro[cyclopenta[b]chromene-9,1'-cyclopentan]-3a-yl)phenyl 4-methylbenzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-1541
5-methoxy-2-(6-methoxy-1,2,3,9a-tetrahydro-3aH-spiro[cyclopenta[b]chromene-9,1'-cyclopentan]-3a-yl)phenyl 4-methylbenzenesulfonate

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

8015-1541

Molecular Formula

C31H34O6S (C31 H34 O6 S)

Compound Name

5-methoxy-2-(6-methoxy-1,2,3,9a-tetrahydro-3aH-spiro[cyclopenta[b]chromene-9,1'-cyclopentan]-3a-yl)phenyl 4-methylbenzenesulfonate

IUPAC name

5-methoxy-2-{11'-methoxy-8'-oxaspiro[cyclopentane-12'-tricyclo[7.4.0.0^{37}]tridecane]-1'(9')10'12'-trien-7'-yl}phenyl 4-methylbenzene-1-sulfonate

SMILES

Cc(cc1)ccc1S(Oc1c(C(CCC2)(C2C23CCCC3)Oc3c2ccc(OC)c3)ccc(OC)c1)(=O)=O

InChI

InChI=1S/C31H34O6S/c1-21-8-12-24(13-9-21)38(32,33)37-28-20-23(35-3)11-15-26(28)31-18-6-7-29(31)30(16-4-5-17-30)25-14-10-22(34-2)19-27(25)36-31/h8-15,19-20,29H,4-7,16-18H2,1-3H3

InChI Key

IYSQEMUKIAREPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.746

Distribution Coefficient, logD

6.746

Water Solubility, LogSw

-5.88

Polar Surface Area

58.118

Acid Dissociation Constant (pKa)

23.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.94

8015-1541 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 8015-1541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-1541?
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What is the minimum amount of 8015-1541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-1541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-1541
  • 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 8015-1541 available by request