E977-1058 Screening compound: ethyl 2-{3,4-bis[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrol-1-yl}acetate

E977-1058 Screening compound: ethyl 2-{3,4-bis[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrol-1-yl}acetate
E977-1058 Screening compound: ethyl 2-{3,4-bis[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E977-1058
ethyl 2-{3,4-bis[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrol-1-yl}acetate

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

E977-1058

Molecular Formula

C20H33N3O6S2 (C20 H33 N3 O6 S2)

Compound Name

ethyl 2-{3,4-bis[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrol-1-yl}acetate

IUPAC name

ethyl 2-{34-bis[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrol-1-yl}acetate

SMILES

CCOC(Cn(cc1S(N2CCC(C)CC2)(=O)=O)cc1S(N1CCC(C)CC1)(=O)=O)=O

InChI

InChI=1S/C20H33N3O6S2/c1-4-29-20(24)15-21-13-18(30(25,26)22-9-5-16(2)6-10-22)19(14-21)31(27,28)23-11-7-17(3)8-12-23/h13-14,16-17H,4-12,15H2,1-3H3

InChI Key

ZBLKUKVTLQZQBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.63

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.303

Distribution Coefficient, logD

2.303

Water Solubility, LogSw

-2.12

Polar Surface Area

87.688

Acid Dissociation Constant (pKa)

23.42

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

E977-1058 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E977-1058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E977-1058?
Check Price and Availability of E977-1058, 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 E977-1058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E977-1058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E977-1058
  • 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 E977-1058 available by request