SC60-0894 Screening compound: 2-isobutyl-8-{[1-(4-methoxyphenyl)cyclopropyl]carbonyl}-6,6-dimethylhexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione

SC60-0894 Screening compound: 2-isobutyl-8-{[1-(4-methoxyphenyl)cyclopropyl]carbonyl}-6,6-dimethylhexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione
SC60-0894 Screening compound: 2-isobutyl-8-{[1-(4-methoxyphenyl)cyclopropyl]carbonyl}-6,6-dimethylhexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SC60-0894
2-isobutyl-8-{[1-(4-methoxyphenyl)cyclopropyl]carbonyl}-6,6-dimethylhexahydro-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

SC60-0894

Molecular Formula

C24H33N3O4 (C24 H33 N3 O4)

Compound Name

2-isobutyl-8-{[1-(4-methoxyphenyl)cyclopropyl]carbonyl}-6,6-dimethylhexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione

IUPAC name

8-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-66-dimethyl-2-(2-methylpropyl)-octahydro-1H-imidazo[15-a][14]diazepine-13-dione

SMILES

CC(C)CN(C(C(C1)N2CC(C)(C)CN1C(C1(CC1)c(cc1)ccc1OC)=O)=O)C2=O

InChI

InChI=1S/C24H33N3O4/c1-16(2)12-26-20(28)19-13-25(14-23(3,4)15-27(19)22(26)30)21(29)24(10-11-24)17-6-8-18(31-5)9-7-17/h6-9,16,19H,10-15H2,1-5H3/t19-/m1/s1

InChI Key

IFUOTCVPCDKSIQ-LJQANCHMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.084

Distribution Coefficient, logD

3.084

Water Solubility, LogSw

-3.18

Polar Surface Area

57.612

Acid Dissociation Constant (pKa)

14.42

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

SC60-0894 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SC60-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of SC60-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC60-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC60-0894
  • 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 SC60-0894 available by request