E958-1037 Screening compound: 5-[2-({[(2,3-dimethoxyphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]-N,N-diethyl-1,3,4-thiadiazol-2-amine

E958-1037 Screening compound: 5-[2-({[(2,3-dimethoxyphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]-N,N-diethyl-1,3,4-thiadiazol-2-amine
E958-1037 Screening compound: 5-[2-({[(2,3-dimethoxyphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]-N,N-diethyl-1,3,4-thiadiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-1037
5-[2-({[(2,3-dimethoxyphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]-N,N-diethyl-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

E958-1037

Molecular Formula

C20H27N5O2S (C20 H27 N5 O2 S)

Compound Name

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

IUPAC name

5-[2-({[(23-dimethoxyphenyl)methyl]amino}methyl)-1H-pyrrol-1-yl]-NN-diethyl-134-thiadiazol-2-amine

SMILES

CCN(CC)c1nnc(-n2c(CNCc(cccc3OC)c3OC)ccc2)s1

InChI

InChI=1S/C20H27N5O2S/c1-5-24(6-2)19-22-23-20(28-19)25-12-8-10-16(25)14-21-13-15-9-7-11-17(26-3)18(15)27-4/h7-12,21H,5-6,13-14H2,1-4H3

InChI Key

WUYHICIDWFCQDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.680

Distribution Coefficient, logD

2.764

Water Solubility, LogSw

-3.85

Polar Surface Area

55.751

Acid Dissociation Constant (pKa)

23.54

Base Dissociation Constant (pKb)

8.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E958-1037 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 E958-1037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-1037?
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What is the minimum amount of E958-1037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-1037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-1037
  • 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 E958-1037 available by request