C876-0148 Screening compound: 1-(4-BROMO-3-METHYLPHENYL)-3-(1-CYCLOPENTYL-5-OXOPYRROLIDIN-3-YL)UREA

C876-0148 Screening compound: 1-(4-BROMO-3-METHYLPHENYL)-3-(1-CYCLOPENTYL-5-OXOPYRROLIDIN-3-YL)UREA
C876-0148 Screening compound: 1-(4-BROMO-3-METHYLPHENYL)-3-(1-CYCLOPENTYL-5-OXOPYRROLIDIN-3-YL)UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound C876-0148
1-(4-BROMO-3-METHYLPHENYL)-3-(1-CYCLOPENTYL-5-OXOPYRROLIDIN-3-YL)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

C876-0148

Molecular Formula

C17H22BrN3O2 (C17 H22 BrN3 O2)

Compound Name

1-(4-BROMO-3-METHYLPHENYL)-3-(1-CYCLOPENTYL-5-OXOPYRROLIDIN-3-YL)UREA

IUPAC name

1-(4-bromo-3-methylphenyl)-3-(1-cyclopentyl-5-oxopyrrolidin-3-yl)urea

SMILES

Cc(cc(cc1)NC(NC(C2)CN(C3CCCC3)C2=O)=O)c1Br

InChI

InChI=1S/C17H22BrN3O2/c1-11-8-12(6-7-15(11)18)19-17(23)20-13-9-16(22)21(10-13)14-4-2-3-5-14/h6-8,13-14H,2-5,9-10H2,1H3,(H2,19,20,23)/t13-/m0/s1

InChI Key

ZUEMTOXEKGLCQV-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14802747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.388

Distribution Coefficient, logD

3.388

Water Solubility, LogSw

-3.69

Polar Surface Area

50.346

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

C876-0148 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C876-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C876-0148?
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What is the minimum amount of C876-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C876-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C876-0148
  • 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 C876-0148 available by request