F638-0931 Screening compound: 1,2-dimethyl-5-(4-methylpiperidine-1-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-3-sulfonamide

F638-0931 Screening compound: 1,2-dimethyl-5-(4-methylpiperidine-1-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-3-sulfonamide
F638-0931 Screening compound: 1,2-dimethyl-5-(4-methylpiperidine-1-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F638-0931
1,2-dimethyl-5-(4-methylpiperidine-1-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-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

F638-0931

Molecular Formula

C23H31N3O3S (C23 H31 N3 O3 S)

Compound Name

1,2-dimethyl-5-(4-methylpiperidine-1-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-3-sulfonamide

IUPAC name

12-dimethyl-5-(4-methylpiperidine-1-carbonyl)-N-(1234-tetrahydronaphthalen-1-yl)-1H-pyrrole-3-sulfonamide

SMILES

CC(CC1)CCN1C(c1cc(S(NC(CCC2)c3c2cccc3)(=O)=O)c(C)n1C)=O

InChI

InChI=1S/C23H31N3O3S/c1-16-11-13-26(14-12-16)23(27)21-15-22(17(2)25(21)3)30(28,29)24-20-10-6-8-18-7-4-5-9-19(18)20/h4-5,7,9,15-16,20,24H,6,8,10-14H2,1-3H3/t20-/m0/s1

InChI Key

PQIKXOYEWRCZHW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27181103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.58

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

3.565

Distribution Coefficient, logD

3.564

Water Solubility, LogSw

-3.87

Polar Surface Area

60.735

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

F638-0931 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 F638-0931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F638-0931?
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What is the minimum amount of F638-0931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F638-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F638-0931
  • 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 F638-0931 available by request