N036-0102 Screening compound: 5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2~14,17~.1~19,23~.0~3,8~.0~7,12~.0~29,33~]hexatriaconta-1(31),3,5,7,14,16,19(36),20,22,29,32,34-dodecaen-4-ol

N036-0102 Screening compound: 5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2~14,17~.1~19,23~.0~3,8~.0~7,12~.0~29,33~]hexatriaconta-1(31),3,5,7,14,16,19(36),20,22,29,32,34-dodecaen-4-ol
N036-0102 Screening compound: 5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2~14,17~.1~19,23~.0~3,8~.0~7,12~.0~29,33~]hexatriaconta-1(31),3,5,7,14,16,19(36),20,22,29,32,34-dodecaen-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound N036-0102
5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2~14,17~.1~19,23~.0~3,8~.0~7,12~.0~29,33~]hexatriaconta-1(31),3,5,7,14,16,19(36),20,22,29,32,34-dodecaen-4-ol

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

N036-0102

Molecular Formula

C37H40N2O6 (C37 H40 N2 O6)

Compound Name

5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2~14,17~.1~19,23~.0~3,8~.0~7,12~.0~29,33~]hexatriaconta-1(31),3,5,7,14,16,19(36),20,22,29,32,34-dodecaen-4-ol

IUPAC name

52031-trimethoxy-1126-dimethyl-218-dioxa-1126-diazaheptacyclo[23.6.2.2^{1417}.1^{1923}.0^{38}.0^{712}.0^{2933}]hexatriaconta-1(31)357141619(34)2022293235-dodecaen-4-ol

SMILES

CN(CCc1c2)C(Cc(cc3)cc(Oc4ccc(CC5N(C)CCc(c(O6)c7O)c5cc7OC)cc4)c3OC)c1cc6c2OC

InChI

InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)34-20-27(24)29(38)17-23-8-11-31(41-3)33(18-23)44-25-9-6-22(7-10-25)16-30-28-21-35(43-5)36(40)37(45-34)26(28)13-15-39(30)2/h6-11,18-21,29-30,40H,12-17H2,1-5H3

InChI Key

CASHVZNATRNXDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01533827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

608.73

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.292

Distribution Coefficient, logD

2.785

Water Solubility, LogSw

-5.32

Polar Surface Area

58.181

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

9.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.10

N036-0102 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Hsp90-Targeted Library (11355 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with N036-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N036-0102?
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What is the minimum amount of N036-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N036-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N036-0102
  • 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 N036-0102 available by request