Y043-5542 Screening compound: (1S,9S)-11-(2-{[1-(2-methoxyethyl)-1H-indol-4-yl]oxy}acetyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

Y043-5542 Screening compound: (1S,9S)-11-(2-{[1-(2-methoxyethyl)-1H-indol-4-yl]oxy}acetyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
Y043-5542 Screening compound: (1S,9S)-11-(2-{[1-(2-methoxyethyl)-1H-indol-4-yl]oxy}acetyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5542
(1S,9S)-11-(2-{[1-(2-methoxyethyl)-1H-indol-4-yl]oxy}acetyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

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

Y043-5542

Molecular Formula

C24H27N3O4 (C24 H27 N3 O4)

Compound Name

(1S,9S)-11-(2-{[1-(2-methoxyethyl)-1H-indol-4-yl]oxy}acetyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

IUPAC name

(1S9R)-11-(2-{[1-(2-methoxyethyl)-1H-indol-4-yl]oxy}acetyl)-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-6-one

SMILES

COCCn1c2cccc(OCC(N(C[C@@H](C3)CN45)C[C@H]3C5=CC=CC4=O)=O)c2cc1

InChI

InChI=1S/C24H27N3O4/c1-30-11-10-25-9-8-19-21(25)5-2-6-22(19)31-16-24(29)26-13-17-12-18(15-26)20-4-3-7-23(28)27(20)14-17/h2-9,17-18H,10-16H2,1H3/t17-,18-/m0/s1

InChI Key

XKUVMVJAIHOXFH-ROUUACIJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.438

Distribution Coefficient, logD

2.438

Water Solubility, LogSw

-2.53

Polar Surface Area

50.075

Acid Dissociation Constant (pKa)

23.77

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.67

Y043-5542 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-5542 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y043-5542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5542
  • 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 Y043-5542 available by request