D437-0211 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[5-methyl-4-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide

D437-0211 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[5-methyl-4-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
D437-0211 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[5-methyl-4-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D437-0211
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[5-methyl-4-(4-methyl-3-oxo-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

D437-0211

Molecular Formula

C24H20N4O5S (C24 H20 N4 O5 S)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[5-methyl-4-(4-methyl-3-oxo-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-[5-methyl-4-(4-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-13-thiazol-2-yl]propanamide

SMILES

CC(C(Nc1nc(-c(cc2)cc(N3C)c2OCC3=O)c(C)s1)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C24H20N4O5S/c1-12(28-22(31)15-6-4-5-7-16(15)23(28)32)21(30)26-24-25-20(13(2)34-24)14-8-9-18-17(10-14)27(3)19(29)11-33-18/h4-10,12H,11H2,1-3H3,(H,25,26,30)/t12-/m0/s1

InChI Key

JSHBTQVHOJEUNM-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD10088326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.149

Distribution Coefficient, logD

3.149

Water Solubility, LogSw

-3.52

Polar Surface Area

86.607

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

D437-0211 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D437-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D437-0211?
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What is the minimum amount of D437-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D437-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D437-0211
  • 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 D437-0211 available by request