G243-1976 Screening compound: 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-{4-[(piperidin-1-yl)methyl]phenyl}-1H-pyrrole-3-sulfonamide

G243-1976 Screening compound: 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-{4-[(piperidin-1-yl)methyl]phenyl}-1H-pyrrole-3-sulfonamide
G243-1976 Screening compound: 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-{4-[(piperidin-1-yl)methyl]phenyl}-1H-pyrrole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G243-1976
4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-{4-[(piperidin-1-yl)methyl]phenyl}-1H-pyrrole-3-sulfonamide

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

G243-1976

Molecular Formula

C26H38N4O3S (C26 H38 N4 O3 S)

Compound Name

4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-{4-[(piperidin-1-yl)methyl]phenyl}-1H-pyrrole-3-sulfonamide

IUPAC name

4-(azepane-1-carbonyl)-125-trimethyl-N-{4-[(piperidin-1-yl)methyl]phenyl}-1H-pyrrole-3-sulfonamide

SMILES

Cc1c(C(N2CCCCCC2)=O)c(S(Nc2ccc(CN3CCCCC3)cc2)(=O)=O)c(C)n1C

InChI

InChI=1S/C26H38N4O3S/c1-20-24(26(31)30-17-9-4-5-10-18-30)25(21(2)28(20)3)34(32,33)27-23-13-11-22(12-14-23)19-29-15-7-6-8-16-29/h11-14,27H,4-10,15-19H2,1-3H3

InChI Key

SBQVQFADKPNLMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14990236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.323

Distribution Coefficient, logD

1.742

Water Solubility, LogSw

-3.77

Polar Surface Area

64.379

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.70

G243-1976 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 G243-1976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G243-1976?
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What is the minimum amount of G243-1976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G243-1976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G243-1976
  • 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 G243-1976 available by request