N038-0225 Screening compound: (6bS,7aR)-7a-acetyl-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,7a,8,8a,8b,9-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-2-yl acetate

N038-0225 Screening compound: (6bS,7aR)-7a-acetyl-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,7a,8,8a,8b,9-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-2-yl acetate
N038-0225 Screening compound: (6bS,7aR)-7a-acetyl-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,7a,8,8a,8b,9-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-2-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound N038-0225
(6bS,7aR)-7a-acetyl-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,7a,8,8a,8b,9-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-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

N038-0225

Molecular Formula

C23H32O4 (C23 H32 O4)

Compound Name

(6bS,7aR)-7a-acetyl-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,7a,8,8a,8b,9-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-2-yl acetate

IUPAC name

(4R6S)-4-acetyl-711-dimethyl-5-oxapentacyclo[8.8.0.0^{27}.0^{46}.0^{1116}]octadec-16-en-14-yl acetate

SMILES

CC(CC1)([C@H]2O[C@]2(C2)C(C)=O)C2C2C1C(C)(CCC(C1)OC(C)=O)C1=CC2

InChI

InChI=1S/C23H32O4/c1-13(24)23-12-19-17-6-5-15-11-16(26-14(2)25)7-9-21(15,3)18(17)8-10-22(19,4)20(23)27-23/h5,16-20H,6-12H2,1-4H3/t16?,17?,18?,19?,20-,21?,22?,23+/m0/s1

InChI Key

GWZAVXCYXHGFFE-XPUCEPKPSA-N

MDL Number (MFCD)

MFCD01533837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.693

Distribution Coefficient, logD

3.693

Water Solubility, LogSw

-4.56

Polar Surface Area

42.546

Acid Dissociation Constant (pKa)

22.23

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

82.60

N038-0225 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Natural Compounds Library (353 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
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with N038-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N038-0225?
Check Price and Availability of N038-0225, 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 N038-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N038-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N038-0225
  • 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 N038-0225 available by request