E958-0739 Screening compound: [(2-fluorophenyl)methyl]({1-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)amine

E958-0739 Screening compound: [(2-fluorophenyl)methyl]({1-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)amine
E958-0739 Screening compound: [(2-fluorophenyl)methyl]({1-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-0739
[(2-fluorophenyl)methyl]({1-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)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

E958-0739

Molecular Formula

C20H24FN5S (C20 H24 FN5 S)

Compound Name

[(2-fluorophenyl)methyl]({1-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)amine

IUPAC name

[(2-fluorophenyl)methyl]({1-[5-(4-methylpiperidin-1-yl)-134-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)amine

SMILES

CC(CC1)CCN1c1nnc(-n2c(CNCc(cccc3)c3F)ccc2)s1

InChI

InChI=1S/C20H24FN5S/c1-15-8-11-25(12-9-15)19-23-24-20(27-19)26-10-4-6-17(26)14-22-13-16-5-2-3-7-18(16)21/h2-7,10,15,22H,8-9,11-14H2,1H3

InChI Key

AFJOKYFGSASUKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.446

Distribution Coefficient, logD

4.405

Water Solubility, LogSw

-4.17

Polar Surface Area

41.120

Acid Dissociation Constant (pKa)

22.58

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with E958-0739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-0739?
Check Price and Availability of E958-0739, 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 E958-0739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-0739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-0739
  • 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 E958-0739 available by request