SD56-0457 Screening compound: 8-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-2-phenylhexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione

SD56-0457 Screening compound: 8-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-2-phenylhexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione
SD56-0457 Screening compound: 8-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-2-phenylhexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SD56-0457
8-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-2-phenylhexahydro-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

SD56-0457

Molecular Formula

C19H21N5O3 (C19 H21 N5 O3)

Compound Name

8-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-2-phenylhexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione

IUPAC name

8-(15-dimethyl-1H-pyrazole-3-carbonyl)-2-phenyl-octahydro-1H-imidazo[15-a][14]diazepine-13-dione

SMILES

Cc1cc(C(N(CCC2)CC(C(N3c4ccccc4)=O)N2C3=O)=O)nn1C

InChI

InChI=1S/C19H21N5O3/c1-13-11-15(20-21(13)2)17(25)22-9-6-10-23-16(12-22)18(26)24(19(23)27)14-7-4-3-5-8-14/h3-5,7-8,11,16H,6,9-10,12H2,1-2H3/t16-/m1/s1

InChI Key

WWQMTXYZKPHAQF-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.379

Distribution Coefficient, logD

0.379

Water Solubility, LogSw

-1.41

Polar Surface Area

63.553

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

References: we are preparing a list of scientific research reports with SD56-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD56-0457?
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What is the minimum amount of SD56-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD56-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD56-0457
  • 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 SD56-0457 available by request