C229-1001 Screening compound: 1-benzyl-3-(3,4-dimethoxyphenyl)-5-(4-ethoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

C229-1001 Screening compound: 1-benzyl-3-(3,4-dimethoxyphenyl)-5-(4-ethoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
C229-1001 Screening compound: 1-benzyl-3-(3,4-dimethoxyphenyl)-5-(4-ethoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C229-1001
1-benzyl-3-(3,4-dimethoxyphenyl)-5-(4-ethoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

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

C229-1001

Molecular Formula

C30H30N2O7 (C30 H30 N2 O7)

Compound Name

1-benzyl-3-(3,4-dimethoxyphenyl)-5-(4-ethoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

IUPAC name

1-benzyl-3-(34-dimethoxyphenyl)-5-(4-ethoxyphenyl)-46-dioxo-octahydropyrrolo[34-c]pyrrole-1-carboxylic acid

SMILES

CCOc(cc1)ccc1N(C(C(C12)C(c(cc3)cc(OC)c3OC)NC2(Cc2ccccc2)C(O)=O)=O)C1=O

InChI

InChI=1S/C30H30N2O7/c1-4-39-21-13-11-20(12-14-21)32-27(33)24-25(28(32)34)30(29(35)36,17-18-8-6-5-7-9-18)31-26(24)19-10-15-22(37-2)23(16-19)38-3/h5-16,24-26,31H,4,17H2,1-3H3,(H,35,36)

InChI Key

NBXDDHCQMYBFDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.938

Distribution Coefficient, logD

0.647

Water Solubility, LogSw

-3.43

Polar Surface Area

92.944

Acid Dissociation Constant (pKa)

3.24

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

30.00

C229-1001 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C229-1001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C229-1001?
Check Price and Availability of C229-1001, 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 C229-1001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C229-1001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C229-1001
  • 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 C229-1001 available by request