D487-0229 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide

D487-0229 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
D487-0229 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0229
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide

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

D487-0229

Molecular Formula

C25H22N4O5S (C25 H22 N4 O5 S)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-[4-(3-oxo-4-propyl-34-dihydro-2H-14-benzoxazin-6-yl)-13-thiazol-2-yl]propanamide

SMILES

CCCN1c(cc(cc2)-c3csc(NC(C(C)N(C(c4c5cccc4)=O)C5=O)=O)n3)c2OCC1=O

InChI

InChI=1S/C25H22N4O5S/c1-3-10-28-19-11-15(8-9-20(19)34-12-21(28)30)18-13-35-25(26-18)27-22(31)14(2)29-23(32)16-6-4-5-7-17(16)24(29)33/h4-9,11,13-14H,3,10,12H2,1-2H3,(H,26,27,31)/t14-/m0/s1

InChI Key

FDUDJEMXLAEUBS-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD10090288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.957

Distribution Coefficient, logD

3.957

Water Solubility, LogSw

-4.05

Polar Surface Area

86.050

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

D487-0229 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D487-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0229?
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What is the minimum amount of D487-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0229
  • 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 D487-0229 available by request