E958-1251 Screening compound: 2-methyl-N-({1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline

E958-1251 Screening compound: 2-methyl-N-({1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)aniline
E958-1251 Screening compound: 2-methyl-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 E958-1251
2-methyl-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

E958-1251

Molecular Formula

C21H28N6S (C21 H28 N6 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CC1)CCN1c1nnc(-n2c(CNc3c(C)cccc3)ccc2)s1

InChI

InChI=1S/C21H28N6S/c1-3-10-25-12-14-26(15-13-25)20-23-24-21(28-20)27-11-6-8-18(27)16-22-19-9-5-4-7-17(19)2/h4-9,11,22H,3,10,12-16H2,1-2H3

InChI Key

GDSZASKRHOWZLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.067

Distribution Coefficient, logD

3.194

Water Solubility, LogSw

-3.87

Polar Surface Area

42.681

Acid Dissociation Constant (pKa)

20.13

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with E958-1251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-1251?
Check Price and Availability of E958-1251, 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 E958-1251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-1251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-1251
  • 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 E958-1251 available by request