C599-1054 Screening compound: N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}cyclododecanamine

C599-1054 Screening compound: N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}cyclododecanamine
C599-1054 Screening compound: N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}cyclododecanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-1054
N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}cyclododecanamine

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

C599-1054

Molecular Formula

C23H35N3O3 (C23 H35 N3 O3)

Compound Name

N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}cyclododecanamine

IUPAC name

N-{[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}cyclododecanamine

SMILES

COc(ccc(-c1noc(CNC2CCCCCCCCCCC2)n1)c1)c1OC

InChI

InChI=1S/C23H35N3O3/c1-27-20-15-14-18(16-21(20)28-2)23-25-22(29-26-23)17-24-19-12-10-8-6-4-3-5-7-9-11-13-19/h14-16,19,24H,3-13,17H2,1-2H3

InChI Key

XNOXMONNAIOGMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.269

Distribution Coefficient, logD

6.245

Water Solubility, LogSw

-5.56

Polar Surface Area

58.455

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.20

C599-1054 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C599-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-1054?
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What is the minimum amount of C599-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-1054
  • 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 C599-1054 available by request