E958-2029 Screening compound: 1-[5-(2-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-4-ethylpiperazine

E958-2029 Screening compound: 1-[5-(2-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-4-ethylpiperazine
E958-2029 Screening compound: 1-[5-(2-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-4-ethylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-2029
1-[5-(2-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-4-ethylpiperazine

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

E958-2029

Molecular Formula

C24H32ClN7S (C24 H32 ClN7 S)

Compound Name

1-[5-(2-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-4-ethylpiperazine

IUPAC name

1-[5-(2-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-134-thiadiazol-2-yl]-4-ethylpiperazine

SMILES

CCN(CC1)CCN1c1nnc(-n2c(CN(CC3)CCN3c3c(C)ccc(Cl)c3)ccc2)s1

InChI

InChI=1S/C24H32ClN7S/c1-3-28-9-15-31(16-10-28)23-26-27-24(33-23)32-8-4-5-21(32)18-29-11-13-30(14-12-29)22-17-20(25)7-6-19(22)2/h4-8,17H,3,9-16,18H2,1-2H3

InChI Key

CISVQGRATBYTDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.08

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.544

Distribution Coefficient, logD

3.686

Water Solubility, LogSw

-4.53

Polar Surface Area

39.583

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E958-2029 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E958-2029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-2029?
Check Price and Availability of E958-2029, 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 E958-2029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-2029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-2029
  • 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 E958-2029 available by request