8013-1222 Screening compound: 1-(2,4-dichlorobenzoyl)-3-(5-methyl-1H-pyrazol-3-yl)urea

8013-1222 Screening compound: 1-(2,4-dichlorobenzoyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
8013-1222 Screening compound: 1-(2,4-dichlorobenzoyl)-3-(5-methyl-1H-pyrazol-3-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1222
1-(2,4-dichlorobenzoyl)-3-(5-methyl-1H-pyrazol-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

8013-1222

Molecular Formula

C12H10Cl2N4O2 (C12 H10 Cl2 N4 O2)

Compound Name

1-(2,4-dichlorobenzoyl)-3-(5-methyl-1H-pyrazol-3-yl)urea

IUPAC name

1-(24-dichlorobenzoyl)-3-(5-methyl-1H-pyrazol-3-yl)urea

SMILES

Cc1cc(NC(NC(c(ccc(Cl)c2)c2Cl)=O)=O)n[nH]1

InChI

InChI=1S/C12H10Cl2N4O2/c1-6-4-10(18-17-6)15-12(20)16-11(19)8-3-2-7(13)5-9(8)14/h2-5H,1H3,(H3,15,16,17,18,19,20)

InChI Key

SDTDDSXKXGKDDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.14

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.849

Distribution Coefficient, logD

2.705

Water Solubility, LogSw

-3.80

Polar Surface Area

69.855

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8013-1222 in Drug Discovery

Included in Screening Libraries

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 8013-1222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1222?
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What is the minimum amount of 8013-1222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1222
  • 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 8013-1222 available by request