8014-9302 Screening compound: N-allyl-N'-[(2,5,6-trichloro-4-methyl-3-pyridyl)carbonyl]urea

8014-9302 Screening compound: N-allyl-N'-[(2,5,6-trichloro-4-methyl-3-pyridyl)carbonyl]urea
8014-9302 Screening compound: N-allyl-N'-[(2,5,6-trichloro-4-methyl-3-pyridyl)carbonyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9302
N-allyl-N'-[(2,5,6-trichloro-4-methyl-3-pyridyl)carbonyl]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

8014-9302

Molecular Formula

C11H10Cl3N3O2 (C11 H10 Cl3 N3 O2)

Compound Name

N-allyl-N'-[(2,5,6-trichloro-4-methyl-3-pyridyl)carbonyl]urea

IUPAC name

3-(prop-2-en-1-yl)-1-(256-trichloro-4-methylpyridine-3-carbonyl)urea

SMILES

Cc(c(C(NC(NCC=C)=O)=O)c(nc1Cl)Cl)c1Cl

InChI

InChI=1S/C11H10Cl3N3O2/c1-3-4-15-11(19)17-10(18)6-5(2)7(12)9(14)16-8(6)13/h3H,1,4H2,2H3,(H2,15,17,18,19)

InChI Key

HQCCMKLXBZNDNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.420

Distribution Coefficient, logD

0.667

Water Solubility, LogSw

-3.91

Polar Surface Area

58.046

Acid Dissociation Constant (pKa)

5.65

Base Dissociation Constant (pKb)

-4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8014-9302 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8014-9302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9302?
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What is the minimum amount of 8014-9302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9302
  • 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 8014-9302 available by request