N075-0017 Screening compound: methyl (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-carboxylate

N075-0017 Screening compound: methyl (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-carboxylate
N075-0017 Screening compound: methyl (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-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound N075-0017
methyl (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-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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

N075-0017

Molecular Formula

C27H35ClO4 (C27 H35 ClO4)

Compound Name

methyl (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-carboxylate

IUPAC name

methyl (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-carboxylate

SMILES

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

InChI

InChI=1S/C27H35ClO4/c1-14(2)16-13-27-10-7-19-25(3,8-6-9-26(19,4)24(31)32-5)20(27)11-15(16)21-18(29)12-17(28)23(30)22(21)27/h12-15,19-22H,6-11H2,1-5H3/t15?,19?,20?,21?,22?,25-,26+,27?/m1/s1

InChI Key

RBMXOEUCEBPGAY-VCSKWUTHSA-N

MDL Number (MFCD)

MFCD02657302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.124

Distribution Coefficient, logD

5.124

Water Solubility, LogSw

-5.53

Polar Surface Area

47.681

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

74.10

N075-0017 in Drug Discovery

Included in Screening Libraries

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 N075-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N075-0017?
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What is the minimum amount of N075-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N075-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N075-0017
  • 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 N075-0017 available by request