E958-1202 Screening compound: 3,4-dimethoxy-N-({1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

E958-1202 Screening compound: 3,4-dimethoxy-N-({1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline
E958-1202 Screening compound: 3,4-dimethoxy-N-({1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-1202
3,4-dimethoxy-N-({1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

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

E958-1202

Molecular Formula

C22H30N6O2S (C22 H30 N6 O2 S)

Compound Name

3,4-dimethoxy-N-({1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

IUPAC name

34-dimethoxy-N-({1-[5-(4-propylpiperazin-1-yl)-134-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

SMILES

CCCN(CC1)CCN1c1nnc(-n2c(CNc(cc3)cc(OC)c3OC)ccc2)s1

InChI

InChI=1S/C22H30N6O2S/c1-4-9-26-11-13-27(14-12-26)21-24-25-22(31-21)28-10-5-6-18(28)16-23-17-7-8-19(29-2)20(15-17)30-3/h5-8,10,15,23H,4,9,11-14,16H2,1-3H3

InChI Key

OYMFISVHFVLVMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.382

Distribution Coefficient, logD

2.508

Water Solubility, LogSw

-3.65

Polar Surface Area

58.640

Acid Dissociation Constant (pKa)

19.06

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with E958-1202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-1202?
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What is the minimum amount of E958-1202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-1202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-1202
  • 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 E958-1202 available by request