E958-1081 Screening compound: N,N-diethyl-5-(2-{[(4-methylphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-amine

E958-1081 Screening compound: N,N-diethyl-5-(2-{[(4-methylphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-amine
E958-1081 Screening compound: N,N-diethyl-5-(2-{[(4-methylphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-1081
N,N-diethyl-5-(2-{[(4-methylphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-amine

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

E958-1081

Molecular Formula

C18H23N5S (C18 H23 N5 S)

Compound Name

N,N-diethyl-5-(2-{[(4-methylphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-amine

IUPAC name

NN-diethyl-5-(2-{[(4-methylphenyl)amino]methyl}-1H-pyrrol-1-yl)-134-thiadiazol-2-amine

SMILES

CCN(CC)c1nnc(-n2c(CNc3ccc(C)cc3)ccc2)s1

InChI

InChI=1S/C18H23N5S/c1-4-22(5-2)17-20-21-18(24-17)23-12-6-7-16(23)13-19-15-10-8-14(3)9-11-15/h6-12,19H,4-5,13H2,1-3H3

InChI Key

BJQOKBURTKCCAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.565

Distribution Coefficient, logD

4.565

Water Solubility, LogSw

-4.27

Polar Surface Area

38.873

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E958-1081 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E958-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-1081?
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What is the minimum amount of E958-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-1081
  • 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 E958-1081 available by request