SC60-0937 Screening compound: 8-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-2-isobutyl-6,6-dimethylhexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione

SC60-0937 Screening compound: 8-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-2-isobutyl-6,6-dimethylhexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione
SC60-0937 Screening compound: 8-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-2-isobutyl-6,6-dimethylhexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SC60-0937
8-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-2-isobutyl-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

SC60-0937

Molecular Formula

C20H31N5O3 (C20 H31 N5 O3)

Compound Name

8-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-2-isobutyl-6,6-dimethylhexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione

IUPAC name

8-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-66-dimethyl-2-(2-methylpropyl)-octahydro-1H-imidazo[15-a][14]diazepine-13-dione

SMILES

CCn1ncc(C(N(CC2C(N3CC(C)C)=O)CC(C)(C)CN2C3=O)=O)c1C

InChI

InChI=1S/C20H31N5O3/c1-7-25-14(4)15(8-21-25)17(26)22-10-16-18(27)23(9-13(2)3)19(28)24(16)12-20(5,6)11-22/h8,13,16H,7,9-12H2,1-6H3/t16-/m1/s1

InChI Key

WIDCMOBBCDEIKJ-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.689

Distribution Coefficient, logD

1.689

Water Solubility, LogSw

-1.86

Polar Surface Area

63.741

Acid Dissociation Constant (pKa)

14.26

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

SC60-0937 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 SC60-0937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC60-0937?
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What is the minimum amount of SC60-0937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC60-0937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC60-0937
  • 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 SC60-0937 available by request