F379-1837 Screening compound: 4-(azepane-1-sulfonyl)-N-(3,4-dimethylphenyl)-N,3,5-trimethyl-1H-pyrrole-2-carboxamide

F379-1837 Screening compound: 4-(azepane-1-sulfonyl)-N-(3,4-dimethylphenyl)-N,3,5-trimethyl-1H-pyrrole-2-carboxamide
F379-1837 Screening compound: 4-(azepane-1-sulfonyl)-N-(3,4-dimethylphenyl)-N,3,5-trimethyl-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F379-1837
4-(azepane-1-sulfonyl)-N-(3,4-dimethylphenyl)-N,3,5-trimethyl-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

F379-1837

Molecular Formula

C22H31N3O3S (C22 H31 N3 O3 S)

Compound Name

4-(azepane-1-sulfonyl)-N-(3,4-dimethylphenyl)-N,3,5-trimethyl-1H-pyrrole-2-carboxamide

IUPAC name

4-(azepane-1-sulfonyl)-N-(34-dimethylphenyl)-N35-trimethyl-1H-pyrrole-2-carboxamide

SMILES

Cc1c(C(N(C)c2cc(C)c(C)cc2)=O)[nH]c(C)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C22H31N3O3S/c1-15-10-11-19(14-16(15)2)24(5)22(26)20-17(3)21(18(4)23-20)29(27,28)25-12-8-6-7-9-13-25/h10-11,14,23H,6-9,12-13H2,1-5H3

InChI Key

TULRXCNYEKDPKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14952333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.296

Distribution Coefficient, logD

4.296

Water Solubility, LogSw

-4.10

Polar Surface Area

58.631

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F379-1837 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 F379-1837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F379-1837?
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What is the minimum amount of F379-1837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F379-1837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F379-1837
  • 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 F379-1837 available by request