C796-0365 Screening compound: 3-(4-ethylphenyl)-1-[(4-methylphenyl)methyl]-1-({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)urea

C796-0365 Screening compound: 3-(4-ethylphenyl)-1-[(4-methylphenyl)methyl]-1-({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)urea
C796-0365 Screening compound: 3-(4-ethylphenyl)-1-[(4-methylphenyl)methyl]-1-({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0365
3-(4-ethylphenyl)-1-[(4-methylphenyl)methyl]-1-({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)urea

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

C796-0365

Molecular Formula

C28H30N6O2S (C28 H30 N6 O2 S)

Compound Name

3-(4-ethylphenyl)-1-[(4-methylphenyl)methyl]-1-({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)urea

IUPAC name

3-(4-ethylphenyl)-1-[(4-methylphenyl)methyl]-1-({1-[5-(2-oxopyrrolidin-1-yl)-134-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)urea

SMILES

CCc(cc1)ccc1NC(N(Cc1cccn1-c1nnc(N(CCC2)C2=O)s1)Cc1ccc(C)cc1)=O

InChI

InChI=1S/C28H30N6O2S/c1-3-21-12-14-23(15-13-21)29-26(36)32(18-22-10-8-20(2)9-11-22)19-24-6-4-16-33(24)27-30-31-28(37-27)34-17-5-7-25(34)35/h4,6,8-16H,3,5,7,17-19H2,1-2H3,(H,29,36)

InChI Key

YXEQXCFHOZUHNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.745

Distribution Coefficient, logD

5.745

Water Solubility, LogSw

-5.18

Polar Surface Area

67.479

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C796-0365 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C796-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0365?
Check Price and Availability of C796-0365, 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 C796-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0365
  • 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 C796-0365 available by request