D437-0210 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]acetamide

D437-0210 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]acetamide
D437-0210 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]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D437-0210
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]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

D437-0210

Molecular Formula

C23H18N4O5S (C23 H18 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]acetamide

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]acetamide

SMILES

Cc1c(-c(cc2)cc(N3C)c2OCC3=O)nc(NC(CN(C(c2c3cccc2)=O)C3=O)=O)s1

InChI

InChI=1S/C23H18N4O5S/c1-12-20(13-7-8-17-16(9-13)26(2)19(29)11-32-17)25-23(33-12)24-18(28)10-27-21(30)14-5-3-4-6-15(14)22(27)31/h3-9H,10-11H2,1-2H3,(H,24,25,28)

InChI Key

CKKFIDXTNFTHGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10088325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.49

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

2.594

Distribution Coefficient, logD

2.594

Water Solubility, LogSw

-3.38

Polar Surface Area

87.053

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D437-0210 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 D437-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D437-0210?
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What is the minimum amount of D437-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D437-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D437-0210
  • 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 D437-0210 available by request