C796-0376 Screening compound: ethyl 2-({[(4-methylphenyl)methyl]({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)carbamoyl}amino)benzoate

C796-0376 Screening compound: ethyl 2-({[(4-methylphenyl)methyl]({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)carbamoyl}amino)benzoate
C796-0376 Screening compound: ethyl 2-({[(4-methylphenyl)methyl]({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0376
ethyl 2-({[(4-methylphenyl)methyl]({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)carbamoyl}amino)benzoate

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

C796-0376

Molecular Formula

C29H30N6O4S (C29 H30 N6 O4 S)

Compound Name

ethyl 2-({[(4-methylphenyl)methyl]({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)carbamoyl}amino)benzoate

IUPAC name

ethyl 2-({[(4-methylphenyl)methyl]({1-[5-(2-oxopyrrolidin-1-yl)-134-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)carbamoyl}amino)benzoate

SMILES

CCOC(c(cccc1)c1NC(N(Cc1cccn1-c1nnc(N(CCC2)C2=O)s1)Cc1ccc(C)cc1)=O)=O

InChI

InChI=1S/C29H30N6O4S/c1-3-39-26(37)23-9-4-5-10-24(23)30-27(38)33(18-21-14-12-20(2)13-15-21)19-22-8-6-16-34(22)28-31-32-29(40-28)35-17-7-11-25(35)36/h4-6,8-10,12-16H,3,7,11,17-19H2,1-2H3,(H,30,38)

InChI Key

GOZFYMMNGHPUBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.478

Distribution Coefficient, logD

5.478

Water Solubility, LogSw

-5.22

Polar Surface Area

87.534

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

C796-0376 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 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 C796-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0376?
Check Price and Availability of C796-0376, 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 C796-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0376
  • 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 C796-0376 available by request