C175-0136 Screening compound: ethyl 3-[4-(pyrrolidine-1-sulfonyl)benzamido]-1H-indole-2-carboxylate

C175-0136 Screening compound: ethyl 3-[4-(pyrrolidine-1-sulfonyl)benzamido]-1H-indole-2-carboxylate
C175-0136 Screening compound: ethyl 3-[4-(pyrrolidine-1-sulfonyl)benzamido]-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C175-0136
ethyl 3-[4-(pyrrolidine-1-sulfonyl)benzamido]-1H-indole-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

C175-0136

Molecular Formula

C22H23N3O5S (C22 H23 N3 O5 S)

Compound Name

ethyl 3-[4-(pyrrolidine-1-sulfonyl)benzamido]-1H-indole-2-carboxylate

IUPAC name

ethyl 3-[4-(pyrrolidine-1-sulfonyl)benzamido]-1H-indole-2-carboxylate

SMILES

CCOC(c([nH]c1c2cccc1)c2NC(c(cc1)ccc1S(N1CCCC1)(=O)=O)=O)=O

InChI

InChI=1S/C22H23N3O5S/c1-2-30-22(27)20-19(17-7-3-4-8-18(17)23-20)24-21(26)15-9-11-16(12-10-15)31(28,29)25-13-5-6-14-25/h3-4,7-12,23H,2,5-6,13-14H2,1H3,(H,24,26)

InChI Key

XDJHKZYFQVAYBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.455

Distribution Coefficient, logD

1.471

Water Solubility, LogSw

-2.81

Polar Surface Area

84.884

Acid Dissociation Constant (pKa)

6.46

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C175-0136 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C175-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C175-0136?
Check Price and Availability of C175-0136, 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 C175-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C175-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C175-0136
  • 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 C175-0136 available by request