K257-0068 Screening compound: 1-(3-bromobenzoyl)-5-(2-methoxyphenyl)-3-(4-methylphenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione

K257-0068 Screening compound: 1-(3-bromobenzoyl)-5-(2-methoxyphenyl)-3-(4-methylphenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione
K257-0068 Screening compound: 1-(3-bromobenzoyl)-5-(2-methoxyphenyl)-3-(4-methylphenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K257-0068
1-(3-bromobenzoyl)-5-(2-methoxyphenyl)-3-(4-methylphenyl)-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

K257-0068

Molecular Formula

C26H22BrN3O4 (C26 H22 BrN3 O4)

Compound Name

1-(3-bromobenzoyl)-5-(2-methoxyphenyl)-3-(4-methylphenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione

IUPAC name

1-(3-bromobenzoyl)-5-(2-methoxyphenyl)-3-(4-methylphenyl)-octahydropyrrolo[34-c]pyrazole-46-dione

SMILES

Cc1ccc(C(C(C2C(N3c(cccc4)c4OC)=O)C3=O)NN2C(c2cccc(Br)c2)=O)cc1

InChI

InChI=1S/C26H22BrN3O4/c1-15-10-12-16(13-11-15)22-21-23(30(28-22)24(31)17-6-5-7-18(27)14-17)26(33)29(25(21)32)19-8-3-4-9-20(19)34-2/h3-14,21-23,28H,1-2H3

InChI Key

CBERMKIWKDSAFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.636

Distribution Coefficient, logD

3.635

Water Solubility, LogSw

-4.00

Polar Surface Area

65.510

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

19.20

K257-0068 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K257-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K257-0068?
Check Price and Availability of K257-0068, 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 K257-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K257-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K257-0068
  • 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 K257-0068 available by request