SC60-0316 Screening compound: 2-(4-fluorophenyl)-6,6-dimethyl-8-(4-pyrimidinylcarbonyl)hexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione

SC60-0316 Screening compound: 2-(4-fluorophenyl)-6,6-dimethyl-8-(4-pyrimidinylcarbonyl)hexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione
SC60-0316 Screening compound: 2-(4-fluorophenyl)-6,6-dimethyl-8-(4-pyrimidinylcarbonyl)hexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SC60-0316
2-(4-fluorophenyl)-6,6-dimethyl-8-(4-pyrimidinylcarbonyl)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

SC60-0316

Molecular Formula

C20H20FN5O3 (C20 H20 FN5 O3)

Compound Name

2-(4-fluorophenyl)-6,6-dimethyl-8-(4-pyrimidinylcarbonyl)hexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione

IUPAC name

2-(4-fluorophenyl)-66-dimethyl-8-(pyrimidine-4-carbonyl)-octahydro-1H-imidazo[15-a][14]diazepine-13-dione

SMILES

CC(C)(CN(C(C1)C(N2c(cc3)ccc3F)=O)C2=O)CN1C(c1ncncc1)=O

InChI

InChI=1S/C20H20FN5O3/c1-20(2)10-24(17(27)15-7-8-22-12-23-15)9-16-18(28)26(19(29)25(16)11-20)14-5-3-13(21)4-6-14/h3-8,12,16H,9-11H2,1-2H3/t16-/m1/s1

InChI Key

FEOWEDQIELBQIU-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.904

Distribution Coefficient, logD

0.904

Water Solubility, LogSw

-1.18

Polar Surface Area

69.123

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

SC60-0316 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 SC60-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC60-0316?
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What is the minimum amount of SC60-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC60-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC60-0316
  • 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 SC60-0316 available by request