0199-0127 Screening compound: {[9a,11-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]sulfanyl}carbonyl chloride

0199-0127 Screening compound: {[9a,11-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]sulfanyl}carbonyl chloride
0199-0127 Screening compound: {[9a,11-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]sulfanyl}carbonyl chloride alternative view

Chemical Structure Depiction of ChemDiv screening compound 0199-0127
{[9a,11-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]sulfanyl}carbonyl chloride

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

0199-0127

Molecular Formula

C28H45ClOS (C28 H45 ClOS)

Compound Name

{[9a,11-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]sulfanyl}carbonyl chloride

IUPAC name

{[9a11-dimethyl-1-(6-methylheptan-2-yl)-1H2H3H3aH3bH4H6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-yl]sulfanyl}carbonyl chloride

SMILES

CC(C)CCCC(C)C1C2C(C)CC3C(C)(CCC(C4)SC(Cl)=O)C4=CCC3C2CC1

InChI

InChI=1S/C28H45ClOS/c1-17(2)7-6-8-18(3)22-11-12-24-23-10-9-20-16-21(31-27(29)30)13-14-28(20,5)25(23)15-19(4)26(22)24/h9,17-19,21-26H,6-8,10-16H2,1-5H3

InChI Key

RVIFINDCMXZRRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01930180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.18

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

8.696

Distribution Coefficient, logD

8.696

Water Solubility, LogSw

-6.65

Polar Surface Area

13.929

Acid Dissociation Constant (pKa)

25.97

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

89.30

0199-0127 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 0199-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0199-0127?
Check Price and Availability of 0199-0127, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0199-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0199-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0199-0127
  • 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 0199-0127 available by request