C066-4258 Screening compound: 1-(2-bromo-4-methylphenyl)-3-({5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}methyl)urea

C066-4258 Screening compound: 1-(2-bromo-4-methylphenyl)-3-({5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}methyl)urea
C066-4258 Screening compound: 1-(2-bromo-4-methylphenyl)-3-({5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4258
1-(2-bromo-4-methylphenyl)-3-({5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}methyl)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

C066-4258

Molecular Formula

C20H18BrN5O2 (C20 H18 BrN5 O2)

Compound Name

1-(2-bromo-4-methylphenyl)-3-({5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}methyl)urea

IUPAC name

1-(2-bromo-4-methylphenyl)-3-({5-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}methyl)urea

SMILES

Cc(cc1)cc(Br)c1NC(NCN(C1=O)N=Cc2c1n(C)c1c2cccc1)=O

InChI

InChI=1S/C20H18BrN5O2/c1-12-7-8-16(15(21)9-12)24-20(28)22-11-26-19(27)18-14(10-23-26)13-5-3-4-6-17(13)25(18)2/h3-10H,11H2,1-2H3,(H2,22,24,28)

InChI Key

CBQKLJAIZLJIDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.208

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.28

Polar Surface Area

64.006

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C066-4258 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C066-4258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4258?
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What is the minimum amount of C066-4258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4258
  • 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 C066-4258 available by request