SA85-1123 Screening compound: 4-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-6-hydroxy-1-(2-methylpropyl)-1,4-diazepan-2-one

SA85-1123 Screening compound: 4-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-6-hydroxy-1-(2-methylpropyl)-1,4-diazepan-2-one
SA85-1123 Screening compound: 4-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-6-hydroxy-1-(2-methylpropyl)-1,4-diazepan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA85-1123
4-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-6-hydroxy-1-(2-methylpropyl)-1,4-diazepan-2-one

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

SA85-1123

Molecular Formula

C19H23ClN4O3 (C19 H23 ClN4 O3)

Compound Name

4-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-6-hydroxy-1-(2-methylpropyl)-1,4-diazepan-2-one

IUPAC name

4-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-6-hydroxy-1-(2-methylpropyl)-14-diazepan-2-one

SMILES

CC(C)CN(CC(CN(C1)C(c2cc(-c3cccc(Cl)c3)n[nH]2)=O)O)C1=O

InChI

InChI=1S/C19H23ClN4O3/c1-12(2)8-23-9-15(25)10-24(11-18(23)26)19(27)17-7-16(21-22-17)13-4-3-5-14(20)6-13/h3-7,12,15,25H,8-11H2,1-2H3,(H,21,22)/t15-/m0/s1

InChI Key

IIKCJXSZRNFAHK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32242898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.529

Distribution Coefficient, logD

2.528

Water Solubility, LogSw

-3.40

Polar Surface Area

72.206

Acid Dissociation Constant (pKa)

7.41

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

SA85-1123 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA85-1123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA85-1123?
Check Price and Availability of SA85-1123, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA85-1123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA85-1123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA85-1123
  • 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 SA85-1123 available by request