0836-0106 Screening compound: 6b-acetyl-4a,6a-dimethyl-1H,2H,3H,4H,4aH,4bH,5H,6H,6aH,6bH,7H,10H,10aH,11H,11aH,11bH,12H-indeno[2,1-a]phenanthren-2-yl acetate

0836-0106 Screening compound: 6b-acetyl-4a,6a-dimethyl-1H,2H,3H,4H,4aH,4bH,5H,6H,6aH,6bH,7H,10H,10aH,11H,11aH,11bH,12H-indeno[2,1-a]phenanthren-2-yl acetate
0836-0106 Screening compound: 6b-acetyl-4a,6a-dimethyl-1H,2H,3H,4H,4aH,4bH,5H,6H,6aH,6bH,7H,10H,10aH,11H,11aH,11bH,12H-indeno[2,1-a]phenanthren-2-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0836-0106
6b-acetyl-4a,6a-dimethyl-1H,2H,3H,4H,4aH,4bH,5H,6H,6aH,6bH,7H,10H,10aH,11H,11aH,11bH,12H-indeno[2,1-a]phenanthren-2-yl acetate

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

0836-0106

Molecular Formula

C27H38O3 (C27 H38 O3)

Compound Name

6b-acetyl-4a,6a-dimethyl-1H,2H,3H,4H,4aH,4bH,5H,6H,6aH,6bH,7H,10H,10aH,11H,11aH,11bH,12H-indeno[2,1-a]phenanthren-2-yl acetate

IUPAC name

6b-acetyl-4a6a-dimethyl-1H2H3H4H4aH4bH5H6H6aH6bH7H10H10aH11H11aH11bH12H-indeno[21-a]phenanthren-2-yl acetate

SMILES

CC(CC1)(C(CC2CC=CC3)C4C1C(C)(CCC(C1)OC(C)=O)C1=CC4)C23C(C)=O

InChI

InChI=1S/C27H38O3/c1-17(28)27-12-6-5-7-20(27)16-24-22-9-8-19-15-21(30-18(2)29)10-13-25(19,3)23(22)11-14-26(24,27)4/h5-6,8,20-24H,7,9-16H2,1-4H3

InChI Key

XGZQDBRFMPJPBO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.223

Distribution Coefficient, logD

5.223

Water Solubility, LogSw

-5.37

Polar Surface Area

34.571

Acid Dissociation Constant (pKa)

21.96

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

77.80

References: we are preparing a list of scientific research reports with 0836-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0836-0106?
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What is the minimum amount of 0836-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0836-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0836-0106
  • 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 0836-0106 available by request