N075-0015 Screening compound: (5R,9R)-16-chloro-20-isopropyl-5,9-dimethyl-14,17-dioxopentacyclo[10.6.2.0~1,10~.0~4,9~.0~13,18~]icosa-15,19-diene-5-carboxylic acid

N075-0015 Screening compound: (5R,9R)-16-chloro-20-isopropyl-5,9-dimethyl-14,17-dioxopentacyclo[10.6.2.0~1,10~.0~4,9~.0~13,18~]icosa-15,19-diene-5-carboxylic acid
N075-0015 Screening compound: (5R,9R)-16-chloro-20-isopropyl-5,9-dimethyl-14,17-dioxopentacyclo[10.6.2.0~1,10~.0~4,9~.0~13,18~]icosa-15,19-diene-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound N075-0015
(5R,9R)-16-chloro-20-isopropyl-5,9-dimethyl-14,17-dioxopentacyclo[10.6.2.0~1,10~.0~4,9~.0~13,18~]icosa-15,19-diene-5-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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

N075-0015

Molecular Formula

C26H33ClO4 (C26 H33 ClO4)

Compound Name

(5R,9R)-16-chloro-20-isopropyl-5,9-dimethyl-14,17-dioxopentacyclo[10.6.2.0~1,10~.0~4,9~.0~13,18~]icosa-15,19-diene-5-carboxylic acid

IUPAC name

(5R9R)-16-chloro-59-dimethyl-1417-dioxo-20-(propan-2-yl)pentacyclo[10.6.2.0^{110}.0^{49}.0^{1318}]icosa-1519-diene-5-carboxylic acid

SMILES

CC(C)C(C(CC1[C@](C)(CCC2)C(CC3)[C@@]2(C)C(O)=O)C2C(C=C4Cl)=O)=CC13C2C4=O

InChI

InChI=1S/C26H33ClO4/c1-13(2)15-12-26-9-6-18-24(3,7-5-8-25(18,4)23(30)31)19(26)10-14(15)20-17(28)11-16(27)22(29)21(20)26/h11-14,18-21H,5-10H2,1-4H3,(H,30,31)/t14?,18?,19?,20?,21?,24-,25+,26?/m1/s1

InChI Key

SPFVAJHKNXOOSR-ZBDCTOLISA-N

MDL Number (MFCD)

MFCD02657301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.432

Distribution Coefficient, logD

2.139

Water Solubility, LogSw

-4.46

Polar Surface Area

54.915

Acid Dissociation Constant (pKa)

5.11

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

73.10

N075-0015 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with N075-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N075-0015?
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What is the minimum amount of N075-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N075-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N075-0015
  • 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 N075-0015 available by request