K257-0050 Screening compound: 3-(5-bromo-2-methoxyphenyl)-1-(3-bromobenzoyl)-5-(2,4-dichlorophenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione

K257-0050 Screening compound: 3-(5-bromo-2-methoxyphenyl)-1-(3-bromobenzoyl)-5-(2,4-dichlorophenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione
K257-0050 Screening compound: 3-(5-bromo-2-methoxyphenyl)-1-(3-bromobenzoyl)-5-(2,4-dichlorophenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K257-0050
3-(5-bromo-2-methoxyphenyl)-1-(3-bromobenzoyl)-5-(2,4-dichlorophenyl)-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

K257-0050

Molecular Formula

C25H17Br2Cl2N3O4 (C25 H17 Br2 Cl2 N3 O4)

Compound Name

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

IUPAC name

3-(5-bromo-2-methoxyphenyl)-1-(3-bromobenzoyl)-5-(24-dichlorophenyl)-octahydropyrrolo[34-c]pyrazole-46-dione

SMILES

COc(cc1)c(C(C(C2C(N3c(ccc(Cl)c4)c4Cl)=O)C3=O)NN2C(c2cc(Br)ccc2)=O)cc1Br

InChI

InChI=1S/C25H17Br2Cl2N3O4/c1-36-19-8-5-14(27)10-16(19)21-20-22(32(30-21)23(33)12-3-2-4-13(26)9-12)25(35)31(24(20)34)18-7-6-15(28)11-17(18)29/h2-11,20-22,30H,1H3

InChI Key

WRTRQZSWPGRWIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

654.14

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

5.470

Distribution Coefficient, logD

5.468

Water Solubility, LogSw

-6.06

Polar Surface Area

65.510

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

16.00

K257-0050 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 K257-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K257-0050?
Check Price and Availability of K257-0050, 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 K257-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K257-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K257-0050
  • 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 K257-0050 available by request