C429-0105 Screening compound: ethyl 4-{5-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate

C429-0105 Screening compound: ethyl 4-{5-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate
C429-0105 Screening compound: ethyl 4-{5-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0105
ethyl 4-{5-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-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

C429-0105

Molecular Formula

C27H25N3O7 (C27 H25 N3 O7)

Compound Name

ethyl 4-{5-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate

IUPAC name

ethyl 4-{5-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]-13-dioxo-23-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1N(C(c(cc1)c2cc1C(Nc(cc1)cc(O3)c1C(C)=CC3=O)=O)=O)C2=O)=O

InChI

InChI=1S/C27H25N3O7/c1-3-36-27(35)29-10-8-18(9-11-29)30-25(33)20-6-4-16(13-21(20)26(30)34)24(32)28-17-5-7-19-15(2)12-23(31)37-22(19)14-17/h4-7,12-14,18H,3,8-11H2,1-2H3,(H,28,32)

InChI Key

TWPJVINKPTVTDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.836

Distribution Coefficient, logD

3.751

Water Solubility, LogSw

-4.02

Polar Surface Area

94.992

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C429-0105 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 C429-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0105?
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What is the minimum amount of C429-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0105
  • 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 C429-0105 available by request