E138-0987 Screening compound: methyl 1-methyl-4-[(4-phenylpiperazin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate

E138-0987 Screening compound: methyl 1-methyl-4-[(4-phenylpiperazin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate
E138-0987 Screening compound: methyl 1-methyl-4-[(4-phenylpiperazin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E138-0987
methyl 1-methyl-4-[(4-phenylpiperazin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate

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

E138-0987

Molecular Formula

C17H21N3O4S (C17 H21 N3 O4 S)

Compound Name

methyl 1-methyl-4-[(4-phenylpiperazin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate

IUPAC name

methyl 1-methyl-4-[(4-phenylpiperazin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate

SMILES

Cn1c(C(OC)=O)cc(S(N(CC2)CCN2c2ccccc2)(=O)=O)c1

InChI

InChI=1S/C17H21N3O4S/c1-18-13-15(12-16(18)17(21)24-2)25(22,23)20-10-8-19(9-11-20)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3

InChI Key

ZGCIPVKYQBWUPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.646

Distribution Coefficient, logD

1.646

Water Solubility, LogSw

-2.45

Polar Surface Area

58.693

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

E138-0987 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E138-0987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E138-0987?
Check Price and Availability of E138-0987, 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 E138-0987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E138-0987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E138-0987
  • 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 E138-0987 available by request