D437-0681 Screening compound: 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[5-methyl-4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide

D437-0681 Screening compound: 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[5-methyl-4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
D437-0681 Screening compound: 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[5-methyl-4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D437-0681
4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[5-methyl-4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide

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

D437-0681

Molecular Formula

C25H22N4O5S (C25 H22 N4 O5 S)

Compound Name

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

IUPAC name

4-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-[5-methyl-4-(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-13-thiazol-2-yl]butanamide

SMILES

CC1Oc(ccc(-c2c(C)sc(NC(CCCN(C(c3c4cccc3)=O)C4=O)=O)n2)c2)c2NC1=O

InChI

InChI=1S/C25H22N4O5S/c1-13-22(31)26-18-12-15(9-10-19(18)34-13)21-14(2)35-25(28-21)27-20(30)8-5-11-29-23(32)16-6-3-4-7-17(16)24(29)33/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,26,31)(H,27,28,30)/t13-/m1/s1

InChI Key

DOQCZECGODYHQP-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD10088454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.063

Distribution Coefficient, logD

3.063

Water Solubility, LogSw

-3.44

Polar Surface Area

95.773

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

D437-0681 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with D437-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D437-0681?
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What is the minimum amount of D437-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D437-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D437-0681
  • 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 D437-0681 available by request