N045-0003 Screening compound: (1R,4S,5R,9S,13S)-14-hydroxyimino-5,13-dimethyltetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-5-carboxylic acid

N045-0003 Screening compound: (1R,4S,5R,9S,13S)-14-hydroxyimino-5,13-dimethyltetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-5-carboxylic acid
N045-0003 Screening compound: (1R,4S,5R,9S,13S)-14-hydroxyimino-5,13-dimethyltetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound N045-0003
(1R,4S,5R,9S,13S)-14-hydroxyimino-5,13-dimethyltetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-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

N045-0003

Molecular Formula

C19H29NO3 (C19 H29 NO3)

Compound Name

(1R,4S,5R,9S,13S)-14-hydroxyimino-5,13-dimethyltetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-5-carboxylic acid

IUPAC name

(1R4S5R9S13S14Z)-14-(hydroxyimino)-513-dimethyltetracyclo[11.2.1.0^{110}.0^{49}]hexadecane-5-carboxylic acid

SMILES

C[C@](C1)(CCC([C@H]2CCC3)[C@@]1(C1)CC[C@H]2[C@@]3(C)C(O)=O)/C1=N\O

InChI

InChI=1S/C19H29NO3/c1-17-8-5-14-12-4-3-7-18(2,16(21)22)13(12)6-9-19(14,11-17)10-15(17)20-23/h12-14,23H,3-11H2,1-2H3,(H,21,22)/t12-,13+,14?,17+,18-,19+/m0/s1

InChI Key

URBNUDAKGSSGTA-GCSASXRQSA-N

MDL Number (MFCD)

MFCD02657240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.958

Distribution Coefficient, logD

0.665

Water Solubility, LogSw

-4.00

Polar Surface Area

58.173

Acid Dissociation Constant (pKa)

5.11

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

89.50

N045-0003 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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with N045-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N045-0003?
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What is the minimum amount of N045-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N045-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N045-0003
  • 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 N045-0003 available by request