0242-1009 Screening compound: 9a,11a-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 4-(nonyloxy)benzoate

Chemical Structure Depiction of ChemDiv screening compound 0242-1009
9a,11a-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 4-(nonyloxy)benzoate

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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

0242-1009

Molecular Formula

C₄₃H₆₈O₃ (C43 H68 O3)

Compound Name

9a,11a-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 4-(nonyloxy)benzoate

IUPAC name

9a11a-dimethyl-1-(6-methylheptan-2-yl)-1H2H3H3aH3bH4H6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-yl 4-(nonyloxy)benzoate

SMILES

CCCCCCCCCOc(cc1)ccc1C(OC1CC2=CCC(C(CC3)C(C)(CC4)C3C(C)CCCC(C)C)C4C2(C)CC1)=O

InChI

InChI=1S/C43H68O3/c1-7-8-9-10-11-12-13-29-45-35-20-17-33(18-21-35)41(44)46-36-25-27-42(5)34(30-36)19-22-37-39-24-23-38(32(4)16-14-15-31(2)3)43(39,6)28-26-40(37)42/h17-21,31-32,36-40H,7-16,22-30H2,1-6H3

InChI Key

WIPPTICENYTRHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00304472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

633.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

13.206

Distribution Coefficient, logD

13.206

Water Solubility, LogSw

-5.95

Polar Surface Area

27.868

Acid Dissociation Constant (pK_a)

25.44

Base Dissociation Constant (pK_b)

0.00

Number of Chiral Centers

8.00

Percent sp³ carbon bonding

79.10

0242-1009 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Nervous system
Hemic and lymphatic
Congenital
Metabolic
Endocrine
Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds
Cardiovascular
Metabolic
Immune system
Cancer
Nervous system
Male
Female
Hemic and lymphatic
Skin
Endocrine

Targets:

Nuclear receptors
Phosphatases

Mechanism of action:

Receptor's ligands

Structure:

Cyclic compounds

References: we are preparing a list of scientific research reports with 0242-1009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-1009?
Check Price and Availability of 0242-1009, 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 0242-1009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for 0242-1009
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for 0242-1009

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 0242-1009 available by request