E002-2252 Screening compound: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-ethylphenyl)methyl]-1H-pyrrole-2-carboxamide

E002-2252 Screening compound: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-ethylphenyl)methyl]-1H-pyrrole-2-carboxamide
E002-2252 Screening compound: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-ethylphenyl)methyl]-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-2252
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-ethylphenyl)methyl]-1H-pyrrole-2-carboxamide

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

E002-2252

Molecular Formula

C22H27N5OS (C22 H27 N5 OS)

Compound Name

1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-ethylphenyl)methyl]-1H-pyrrole-2-carboxamide

IUPAC name

1-[5-(azepan-1-yl)-134-thiadiazol-2-yl]-N-[(4-ethylphenyl)methyl]-1H-pyrrole-2-carboxamide

SMILES

CCc1ccc(CNC(c2cccn2-c2nnc(N3CCCCCC3)s2)=O)cc1

InChI

InChI=1S/C22H27N5OS/c1-2-17-9-11-18(12-10-17)16-23-20(28)19-8-7-15-27(19)22-25-24-21(29-22)26-13-5-3-4-6-14-26/h7-12,15H,2-6,13-14,16H2,1H3,(H,23,28)

InChI Key

BGXIIAFJMJFIIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.357

Distribution Coefficient, logD

5.357

Water Solubility, LogSw

-5.05

Polar Surface Area

53.618

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

8.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with E002-2252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-2252?
Check Price and Availability of E002-2252, 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 E002-2252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-2252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-2252
  • 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 E002-2252 available by request