SD56-0101 Screening compound: 8-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}-2-(2-methoxyethyl)hexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione

SD56-0101 Screening compound: 8-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}-2-(2-methoxyethyl)hexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione
SD56-0101 Screening compound: 8-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}-2-(2-methoxyethyl)hexahydro-1H-imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SD56-0101
8-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}-2-(2-methoxyethyl)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

SD56-0101

Molecular Formula

C20H22FN5O4 (C20 H22 FN5 O4)

Compound Name

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

IUPAC name

n/a

SMILES

COCCN(C(C(C1)N2CCCN1C(c1c[nH]nc1-c(cc1)ccc1F)=O)=O)C2=O

InChI

InChI=1S/C20H22FN5O4/c1-30-10-9-26-19(28)16-12-24(7-2-8-25(16)20(26)29)18(27)15-11-22-23-17(15)13-3-5-14(21)6-4-13/h3-6,11,16H,2,7-10,12H2,1H3,(H,22,23)/t16-/m0/s1

InChI Key

JMDDQFNLFYQLRM-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.652

Distribution Coefficient, logD

0.652

Water Solubility, LogSw

-2.12

Polar Surface Area

82.460

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with SD56-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD56-0101?
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What is the minimum amount of SD56-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD56-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD56-0101
  • 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 SD56-0101 available by request