G800-0257 Screening compound: ethyl 4-[(N-benzyl4-propanamidobenzenesulfonamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

G800-0257 Screening compound: ethyl 4-[(N-benzyl4-propanamidobenzenesulfonamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
G800-0257 Screening compound: ethyl 4-[(N-benzyl4-propanamidobenzenesulfonamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G800-0257
ethyl 4-[(N-benzyl4-propanamidobenzenesulfonamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

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

G800-0257

Molecular Formula

C26H31N3O5S (C26 H31 N3 O5 S)

Compound Name

ethyl 4-[(N-benzyl4-propanamidobenzenesulfonamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-[(N-benzyl4-propanamidobenzenesulfonamido)methyl]-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCC(Nc(cc1)ccc1S(N(Cc1c(C)[nH]c(C(OCC)=O)c1C)Cc1ccccc1)(=O)=O)=O

InChI

InChI=1S/C26H31N3O5S/c1-5-24(30)28-21-12-14-22(15-13-21)35(32,33)29(16-20-10-8-7-9-11-20)17-23-18(3)25(27-19(23)4)26(31)34-6-2/h7-15,27H,5-6,16-17H2,1-4H3,(H,28,30)

InChI Key

HOWYUVVWINOCPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.378

Distribution Coefficient, logD

4.377

Water Solubility, LogSw

-4.20

Polar Surface Area

86.227

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

G800-0257 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G800-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G800-0257?
Check Price and Availability of G800-0257, 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 G800-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G800-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G800-0257
  • 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 G800-0257 available by request