F638-3087 Screening compound: ethyl 4-{1,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-amido}benzoate

F638-3087 Screening compound: ethyl 4-{1,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-amido}benzoate
F638-3087 Screening compound: ethyl 4-{1,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F638-3087
ethyl 4-{1,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-amido}benzoate

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

F638-3087

Molecular Formula

C22H29N3O5S (C22 H29 N3 O5 S)

Compound Name

ethyl 4-{1,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-amido}benzoate

IUPAC name

ethyl 4-{15-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-amido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1cc(S(N2CCC(C)CC2)(=O)=O)c(C)n1C)=O)=O

InChI

InChI=1S/C22H29N3O5S/c1-5-30-22(27)17-6-8-18(9-7-17)23-21(26)19-14-20(16(3)24(19)4)31(28,29)25-12-10-15(2)11-13-25/h6-9,14-15H,5,10-13H2,1-4H3,(H,23,26)

InChI Key

XXGBHLSLMJLBFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27181318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.562

Distribution Coefficient, logD

3.554

Water Solubility, LogSw

-3.84

Polar Surface Area

77.827

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

F638-3087 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F638-3087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F638-3087?
Check Price and Availability of F638-3087, 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 F638-3087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F638-3087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F638-3087
  • 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 F638-3087 available by request