Y043-7170 Screening compound: N-[(1S,9aR)octahydro-2H-quinolizin-1-ylmethyl]-N'-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N-methylurea

Y043-7170 Screening compound: N-[(1S,9aR)octahydro-2H-quinolizin-1-ylmethyl]-N'-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N-methylurea
Y043-7170 Screening compound: N-[(1S,9aR)octahydro-2H-quinolizin-1-ylmethyl]-N'-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-7170
N-[(1S,9aR)octahydro-2H-quinolizin-1-ylmethyl]-N'-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N-methylurea

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

Y043-7170

Molecular Formula

C21H31N3O3 (C21 H31 N3 O3)

Compound Name

N-[(1S,9aR)octahydro-2H-quinolizin-1-ylmethyl]-N'-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N-methylurea

IUPAC name

3-{[(1S9aR)-octahydro-1H-quinolizin-1-yl]methyl}-1-[(23-dihydro-14-benzodioxin-2-yl)methyl]-3-methylurea

SMILES

CN(C[C@@H]1[C@H](CCCC2)N2CCC1)C(NCC1Oc(cccc2)c2OC1)=O

InChI

InChI=1S/C21H31N3O3/c1-23(14-16-7-6-12-24-11-5-4-8-18(16)24)21(25)22-13-17-15-26-19-9-2-3-10-20(19)27-17/h2-3,9-10,16-18H,4-8,11-15H2,1H3,(H,22,25)/t16-,17?,18+/m1/s1

InChI Key

HZZCEJGTGDXJEB-BLAYRMRBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.163

Distribution Coefficient, logD

0.303

Water Solubility, LogSw

-2.50

Polar Surface Area

45.562

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

9.25

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

66.67

Y043-7170 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y043-7170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-7170?
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What is the minimum amount of Y043-7170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-7170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-7170
  • 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 Y043-7170 available by request