D437-0139 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]acetamide

D437-0139 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]acetamide
D437-0139 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D437-0139
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]acetamide

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

D437-0139

Molecular Formula

C22H16N4O5S (C22 H16 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CN1c(cc(cc2)-c3csc(NC(CN(C(c4c5cccc4)=O)C5=O)=O)n3)c2OCC1=O

InChI

InChI=1S/C22H16N4O5S/c1-25-16-8-12(6-7-17(16)31-10-19(25)28)15-11-32-22(23-15)24-18(27)9-26-20(29)13-4-2-3-5-14(13)21(26)30/h2-8,11H,9-10H2,1H3,(H,23,24,27)

InChI Key

BEMCFQORXORREB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10088311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.46

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

2.490

Distribution Coefficient, logD

2.490

Water Solubility, LogSw

-3.24

Polar Surface Area

86.283

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D437-0139 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D437-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D437-0139?
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What is the minimum amount of D437-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D437-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D437-0139
  • 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 D437-0139 available by request