N064-0021 Screening compound: 9-(acetyloxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

Chemical Structure Depiction of ChemDiv screening compound N064-0021
9-(acetyloxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

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

N064-0021

Molecular Formula

C₃₂H₅₀O₄ (C32 H50 O4)

Compound Name

9-(acetyloxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

IUPAC name

(1R5aR5bR11aR)-9-(acetyloxy)-5a5b8811a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

SMILES

CC(C)(C(CC1)[C@@](C)(CC2)C(CC3)[C@@]1(C)[C@@](C)(CC1)C3C([C@H](CC3)C(C)=C)C13C(O)=O)C2OC(C)=O

InChI

InChI=1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22?,23?,24?,25?,26?,29+,30-,31-,32?/m0/s1

InChI Key

ACWNTJJUZAIOLW-UWESYHCRSA-N

MDL Number (MFCD)

MFCD01892134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

6.711

Distribution Coefficient, logD

4.574

Water Solubility, LogSw

-5.86

Polar Surface Area

49.095

Acid Dissociation Constant (pK_a)

5.27

Base Dissociation Constant (pK_b)

0.00

Number of Chiral Centers

10.00

Percent sp³ carbon bonding

87.50

N064-0021 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Natural Compounds Library (353 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

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

Structure:

Cyclic compounds

Targets:

Phosphatases
Phosphatases

Mechanism of action:

Receptor's ligands

References: we are preparing a list of scientific research reports with N064-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N064-0021?
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What is the minimum amount of N064-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for N064-0021
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for N064-0021

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 N064-0021 available by request