K257-0047 Screening compound: 1-(3-bromobenzoyl)-5-(2,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]-octahydropyrrolo[3,4-c]pyrazole-4,6-dione

K257-0047 Screening compound: 1-(3-bromobenzoyl)-5-(2,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]-octahydropyrrolo[3,4-c]pyrazole-4,6-dione
K257-0047 Screening compound: 1-(3-bromobenzoyl)-5-(2,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]-octahydropyrrolo[3,4-c]pyrazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K257-0047
1-(3-bromobenzoyl)-5-(2,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]-octahydropyrrolo[3,4-c]pyrazole-4,6-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

K257-0047

Molecular Formula

C26H21BrCl2N4O3 (C26 H21 BrCl2 N4 O3)

Compound Name

1-(3-bromobenzoyl)-5-(2,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]-octahydropyrrolo[3,4-c]pyrazole-4,6-dione

IUPAC name

1-(3-bromobenzoyl)-5-(24-dichlorophenyl)-3-[4-(dimethylamino)phenyl]-octahydropyrrolo[34-c]pyrazole-46-dione

SMILES

CN(C)c1ccc(C(C(C2C(N3c(ccc(Cl)c4)c4Cl)=O)C3=O)NN2C(c2cccc(Br)c2)=O)cc1

InChI

InChI=1S/C26H21BrCl2N4O3/c1-31(2)18-9-6-14(7-10-18)22-21-23(33(30-22)24(34)15-4-3-5-16(27)12-15)26(36)32(25(21)35)20-11-8-17(28)13-19(20)29/h3-13,21-23,30H,1-2H3

InChI Key

ODEJYUFPSLIZTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.675

Distribution Coefficient, logD

4.671

Water Solubility, LogSw

-5.08

Polar Surface Area

60.684

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

8.91

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

19.20

K257-0047 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with K257-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K257-0047?
Check Price and Availability of K257-0047, 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 K257-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K257-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K257-0047
  • 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 K257-0047 available by request