8016-1222 Screening compound: N-(3-chlorobenzoyl)-N'-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)urea

8016-1222 Screening compound: N-(3-chlorobenzoyl)-N'-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)urea
8016-1222 Screening compound: N-(3-chlorobenzoyl)-N'-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1222
N-(3-chlorobenzoyl)-N'-(3,5-dimethyl-4H-1,2,4-triazol-4-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

8016-1222

Molecular Formula

C12H12ClN5O2 (C12 H12 ClN5 O2)

Compound Name

N-(3-chlorobenzoyl)-N'-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)urea

IUPAC name

1-(3-chlorobenzoyl)-3-(35-dimethyl-4H-124-triazol-4-yl)urea

SMILES

Cc1nnc(C)n1NC(NC(c1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C12H12ClN5O2/c1-7-15-16-8(2)18(7)17-12(20)14-11(19)9-4-3-5-10(13)6-9/h3-6H,1-2H3,(H2,14,17,19,20)

InChI Key

VTIUBSRQTUBCOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05260345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.355

Distribution Coefficient, logD

-2.996

Water Solubility, LogSw

-2.54

Polar Surface Area

76.225

Acid Dissociation Constant (pKa)

4.05

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with 8016-1222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1222?
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What is the minimum amount of 8016-1222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1222
  • 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 8016-1222 available by request