K257-0069 Screening compound: methyl 4-[1-(3-bromobenzoyl)-5-(4-ethoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrazol-3-yl]benzoate

K257-0069 Screening compound: methyl 4-[1-(3-bromobenzoyl)-5-(4-ethoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrazol-3-yl]benzoate
K257-0069 Screening compound: methyl 4-[1-(3-bromobenzoyl)-5-(4-ethoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrazol-3-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K257-0069
methyl 4-[1-(3-bromobenzoyl)-5-(4-ethoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrazol-3-yl]benzoate

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

K257-0069

Molecular Formula

C28H24BrN3O6 (C28 H24 BrN3 O6)

Compound Name

methyl 4-[1-(3-bromobenzoyl)-5-(4-ethoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrazol-3-yl]benzoate

IUPAC name

methyl 4-[1-(3-bromobenzoyl)-5-(4-ethoxyphenyl)-46-dioxo-octahydropyrrolo[34-c]pyrazol-3-yl]benzoate

SMILES

CCOc(cc1)ccc1N(C(C(C12)C(c(cc3)ccc3C(OC)=O)NN1C(c1cccc(Br)c1)=O)=O)C2=O

InChI

InChI=1S/C28H24BrN3O6/c1-3-38-21-13-11-20(12-14-21)31-26(34)22-23(16-7-9-17(10-8-16)28(36)37-2)30-32(24(22)27(31)35)25(33)18-5-4-6-19(29)15-18/h4-15,22-24,30H,3H2,1-2H3

InChI Key

JJKHRUMLKKOJSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.813

Distribution Coefficient, logD

3.812

Water Solubility, LogSw

-4.12

Polar Surface Area

86.478

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

21.40

K257-0069 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 K257-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K257-0069?
Check Price and Availability of K257-0069, 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 K257-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K257-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K257-0069
  • 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 K257-0069 available by request