Y031-8705 Screening compound: ethyl 1-(4-{[4-(ethoxycarbonyl)piperidino]carbonyl}benzoyl)-4-piperidinecarboxylate

Y031-8705 Screening compound: ethyl 1-(4-{[4-(ethoxycarbonyl)piperidino]carbonyl}benzoyl)-4-piperidinecarboxylate
Y031-8705 Screening compound: ethyl 1-(4-{[4-(ethoxycarbonyl)piperidino]carbonyl}benzoyl)-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-8705
ethyl 1-(4-{[4-(ethoxycarbonyl)piperidino]carbonyl}benzoyl)-4-piperidinecarboxylate

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

Y031-8705

Molecular Formula

C24H32N2O6 (C24 H32 N2 O6)

Compound Name

ethyl 1-(4-{[4-(ethoxycarbonyl)piperidino]carbonyl}benzoyl)-4-piperidinecarboxylate

IUPAC name

ethyl 1-{4-[4-(ethoxycarbonyl)piperidine-1-carbonyl]benzoyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c(cc1)ccc1C(N(CC1)CCC1C(OCC)=O)=O)=O)=O

InChI

InChI=1S/C24H32N2O6/c1-3-31-23(29)19-9-13-25(14-10-19)21(27)17-5-7-18(8-6-17)22(28)26-15-11-20(12-16-26)24(30)32-4-2/h5-8,19-20H,3-4,9-16H2,1-2H3

InChI Key

RHOVLUSHVNJIHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01213166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.839

Distribution Coefficient, logD

1.839

Water Solubility, LogSw

-2.05

Polar Surface Area

75.042

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.33

Y031-8705 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-8705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-8705?
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What is the minimum amount of Y031-8705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-8705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-8705
  • 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 Y031-8705 available by request