D355-0138 Screening compound: ethyl 4-[(7-hydroxy-4,5-dimethyl-2-oxo-2H-chromen-8-yl)methyl]piperazine-1-carboxylate

D355-0138 Screening compound: ethyl 4-[(7-hydroxy-4,5-dimethyl-2-oxo-2H-chromen-8-yl)methyl]piperazine-1-carboxylate
D355-0138 Screening compound: ethyl 4-[(7-hydroxy-4,5-dimethyl-2-oxo-2H-chromen-8-yl)methyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D355-0138
ethyl 4-[(7-hydroxy-4,5-dimethyl-2-oxo-2H-chromen-8-yl)methyl]piperazine-1-carboxylate

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

D355-0138

Molecular Formula

C19H24N2O5 (C19 H24 N2 O5)

Compound Name

ethyl 4-[(7-hydroxy-4,5-dimethyl-2-oxo-2H-chromen-8-yl)methyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[(7-hydroxy-45-dimethyl-2-oxo-2H-chromen-8-yl)methyl]piperazine-1-carboxylate

SMILES

CCOC(N1CCN(Cc(c(O2)c(c(C)c3)C(C)=CC2=O)c3O)CC1)=O

InChI

InChI=1S/C19H24N2O5/c1-4-25-19(24)21-7-5-20(6-8-21)11-14-15(22)9-12(2)17-13(3)10-16(23)26-18(14)17/h9-10,22H,4-8,11H2,1-3H3

InChI Key

CVOIJWRTIOKAPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14822377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.205

Distribution Coefficient, logD

2.137

Water Solubility, LogSw

-2.26

Polar Surface Area

63.391

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

D355-0138 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 D355-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D355-0138?
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What is the minimum amount of D355-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D355-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D355-0138
  • 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 D355-0138 available by request