5868-0126 Screening compound: 1-{4-[4-(diethylamino)phenyl]-1-phenyl-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one

5868-0126 Screening compound: 1-{4-[4-(diethylamino)phenyl]-1-phenyl-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one
5868-0126 Screening compound: 1-{4-[4-(diethylamino)phenyl]-1-phenyl-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5868-0126
1-{4-[4-(diethylamino)phenyl]-1-phenyl-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one

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

5868-0126

Molecular Formula

C24H26N4OS (C24 H26 N4 OS)

Compound Name

1-{4-[4-(diethylamino)phenyl]-1-phenyl-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one

IUPAC name

1-{4-[4-(diethylamino)phenyl]-1-phenyl-5-(thiophen-2-yl)-45-dihydro-1H-124-triazol-3-yl}ethan-1-one

SMILES

CCN(CC)c(cc1)ccc1N(C1c2cccs2)C(C(C)=O)=NN1c1ccccc1

InChI

InChI=1S/C24H26N4OS/c1-4-26(5-2)19-13-15-20(16-14-19)27-23(18(3)29)25-28(21-10-7-6-8-11-21)24(27)22-12-9-17-30-22/h6-17,24H,4-5H2,1-3H3/t24-/m0/s1

InChI Key

GDWFDWSGXBBQTQ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01836784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.363

Distribution Coefficient, logD

5.309

Water Solubility, LogSw

-5.33

Polar Surface Area

34.438

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

10.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

5868-0126 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 5868-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5868-0126?
Check Price and Availability of 5868-0126, 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 5868-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5868-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5868-0126
  • 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 5868-0126 available by request