F379-1856 Screening compound: 4-(azepane-1-sulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

F379-1856 Screening compound: 4-(azepane-1-sulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
F379-1856 Screening compound: 4-(azepane-1-sulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F379-1856
4-(azepane-1-sulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

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

F379-1856

Molecular Formula

C22H31N3O5S (C22 H31 N3 O5 S)

Compound Name

4-(azepane-1-sulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

IUPAC name

4-(azepane-1-sulfonyl)-N-[(25-dimethoxyphenyl)methyl]-35-dimethyl-1H-pyrrole-2-carboxamide

SMILES

Cc1c(C(NCc(cc(cc2)OC)c2OC)=O)[nH]c(C)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C22H31N3O5S/c1-15-20(22(26)23-14-17-13-18(29-3)9-10-19(17)30-4)24-16(2)21(15)31(27,28)25-11-7-5-6-8-12-25/h9-10,13,24H,5-8,11-12,14H2,1-4H3,(H,23,26)

InChI Key

LYOHAGVBJKEEGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27121514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.156

Distribution Coefficient, logD

3.156

Water Solubility, LogSw

-3.48

Polar Surface Area

82.849

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F379-1856 in Drug Discovery

Included in Screening Libraries

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 F379-1856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F379-1856?
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What is the minimum amount of F379-1856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F379-1856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F379-1856
  • 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 F379-1856 available by request