SD56-0026 Screening compound: 2-(2-methoxyethyl)-8-{[5-(3-methylphenyl)-1,3-oxazol-4-yl]carbonyl}hexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione

SD56-0026 Screening compound: 2-(2-methoxyethyl)-8-{[5-(3-methylphenyl)-1,3-oxazol-4-yl]carbonyl}hexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione
SD56-0026 Screening compound: 2-(2-methoxyethyl)-8-{[5-(3-methylphenyl)-1,3-oxazol-4-yl]carbonyl}hexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SD56-0026
2-(2-methoxyethyl)-8-{[5-(3-methylphenyl)-1,3-oxazol-4-yl]carbonyl}hexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione

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

SD56-0026

Molecular Formula

C21H24N4O5 (C21 H24 N4 O5)

Compound Name

2-(2-methoxyethyl)-8-{[5-(3-methylphenyl)-1,3-oxazol-4-yl]carbonyl}hexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione

IUPAC name

2-(2-methoxyethyl)-8-[5-(3-methylphenyl)-13-oxazole-4-carbonyl]-octahydro-1H-imidazo[15-a][14]diazepine-13-dione

SMILES

Cc1cccc(-c2c(C(N(CCC3)CC(C(N4CCOC)=O)N3C4=O)=O)nco2)c1

InChI

InChI=1S/C21H24N4O5/c1-14-5-3-6-15(11-14)18-17(22-13-30-18)20(27)23-7-4-8-24-16(12-23)19(26)25(21(24)28)9-10-29-2/h3,5-6,11,13,16H,4,7-10,12H2,1-2H3/t16-/m1/s1

InChI Key

IZTPQTUQAKJBKJ-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.106

Distribution Coefficient, logD

1.106

Water Solubility, LogSw

-1.72

Polar Surface Area

77.106

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

SD56-0026 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD56-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD56-0026?
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What is the minimum amount of SD56-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD56-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD56-0026
  • 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 SD56-0026 available by request