1183-1441 Screening compound: 1-(4-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl pyridine-3-carboxylate

Chemical Structure Depiction of ChemDiv screening compound 1183-1441
1-(4-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl pyridine-3-carboxylate

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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1183-1441

Molecular Formula

C₃₅H₅₃NO₂ (C35 H53 NO2)

Compound Name

1-(4-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl pyridine-3-carboxylate

IUPAC name

1-(4-ethyl-6-methylheptan-2-yl)-9a11a-dimethyl-1H2H3H3aH3bH4H6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-yl pyridine-3-carboxylate

SMILES

CCC(CC(C)C)CC(C)C(CC1)C(C)(CC2)C1C1C2C(C)(CCC(C2)OC(c3cnccc3)=O)C2=CC1

InChI

InChI=1S/C35H53NO2/c1-7-25(19-23(2)3)20-24(4)30-12-13-31-29-11-10-27-21-28(38-33(37)26-9-8-18-36-22-26)14-16-34(27,5)32(29)15-17-35(30,31)6/h8-10,18,22-25,28-32H,7,11-17,19-21H2,1-6H3

InChI Key

QXFNNZWRLWVWOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

8.591

Distribution Coefficient, logD

8.591

Water Solubility, LogSw

-6.00

Polar Surface Area

29.968

Acid Dissociation Constant (pK_a)

25.44

Base Dissociation Constant (pK_b)

0.85

Number of Chiral Centers

9.00

Percent sp³ carbon bonding

77.10

1183-1441 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 1183-1441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1183-1441?
Check Price and Availability of 1183-1441, 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 1183-1441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for 1183-1441
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for 1183-1441

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 1183-1441 available by request