C796-0362 Screening compound: 3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]-1-({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)urea

C796-0362 Screening compound: 3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]-1-({1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)urea
C796-0362 Screening compound: 3-(2-chlorophenyl)-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 C796-0362
3-(2-chlorophenyl)-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

C796-0362

Molecular Formula

C26H25ClN6O2S (C26 H25 ClN6 O2 S)

Compound Name

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

SMILES

Cc1ccc(CN(Cc2cccn2-c2nnc(N(CCC3)C3=O)s2)C(Nc(cccc2)c2Cl)=O)cc1

InChI

InChI=1S/C26H25ClN6O2S/c1-18-10-12-19(13-11-18)16-31(24(35)28-22-8-3-2-7-21(22)27)17-20-6-4-14-32(20)25-29-30-26(36-25)33-15-5-9-23(33)34/h2-4,6-8,10-14H,5,9,15-17H2,1H3,(H,28,35)

InChI Key

XHIBNKJOONDYKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.261

Distribution Coefficient, logD

5.261

Water Solubility, LogSw

-5.64

Polar Surface Area

66.781

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C796-0362 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C796-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0362?
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What is the minimum amount of C796-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0362
  • 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 C796-0362 available by request