D264-0864 Screening compound: 1-(2-chlorophenyl)-3-[1-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butan-2-yl]urea

D264-0864 Screening compound: 1-(2-chlorophenyl)-3-[1-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butan-2-yl]urea
D264-0864 Screening compound: 1-(2-chlorophenyl)-3-[1-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butan-2-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D264-0864
1-(2-chlorophenyl)-3-[1-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butan-2-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

D264-0864

Molecular Formula

C18H18ClN5O2 (C18 H18 ClN5 O2)

Compound Name

1-(2-chlorophenyl)-3-[1-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butan-2-yl]urea

IUPAC name

1-(2-chlorophenyl)-3-[1-(4-oxo-34-dihydro-123-benzotriazin-3-yl)butan-2-yl]urea

SMILES

CCC(CN1N=Nc(cccc2)c2C1=O)NC(Nc(cccc1)c1Cl)=O

InChI

InChI=1S/C18H18ClN5O2/c1-2-12(20-18(26)21-16-10-6-4-8-14(16)19)11-24-17(25)13-7-3-5-9-15(13)22-23-24/h3-10,12H,2,11H2,1H3,(H2,20,21,26)/t12-/m0/s1

InChI Key

BHTZQKGNXUYDTN-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14816075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.453

Distribution Coefficient, logD

3.453

Water Solubility, LogSw

-3.78

Polar Surface Area

74.040

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

D264-0864 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 D264-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D264-0864?
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What is the minimum amount of D264-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D264-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D264-0864
  • 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 D264-0864 available by request