L470-0124 Screening compound: 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N-{[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]methyl}benzamide

L470-0124 Screening compound: 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N-{[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]methyl}benzamide
L470-0124 Screening compound: 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N-{[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L470-0124
4-(2,5-dimethyl-1H-pyrrol-1-yl)-N-{[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]methyl}benzamide

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

L470-0124

Molecular Formula

C22H25N3O3S2 (C22 H25 N3 O3 S2)

Compound Name

4-(2,5-dimethyl-1H-pyrrol-1-yl)-N-{[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]methyl}benzamide

IUPAC name

4-(25-dimethyl-1H-pyrrol-1-yl)-N-{[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]methyl}benzamide

SMILES

Cc1ccc(C)n1-c(cc1)ccc1C(NCc(s1)ccc1S(N1CCCC1)(=O)=O)=O

InChI

InChI=1S/C22H25N3O3S2/c1-16-5-6-17(2)25(16)19-9-7-18(8-10-19)22(26)23-15-20-11-12-21(29-20)30(27,28)24-13-3-4-14-24/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)

InChI Key

DOXFPOINUDCJOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.551

Distribution Coefficient, logD

3.551

Water Solubility, LogSw

-3.74

Polar Surface Area

60.636

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L470-0124 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L470-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L470-0124?
Check Price and Availability of L470-0124, 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 L470-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L470-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L470-0124
  • 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 L470-0124 available by request