8006-6109 Screening compound: N-(5-(tert-butyl)-3-{[(4-chloroanilino)carbonyl]amino}-2-ethylphenyl)-N'-(4-chlorophenyl)urea

8006-6109 Screening compound: N-(5-(tert-butyl)-3-{[(4-chloroanilino)carbonyl]amino}-2-ethylphenyl)-N'-(4-chlorophenyl)urea
8006-6109 Screening compound: N-(5-(tert-butyl)-3-{[(4-chloroanilino)carbonyl]amino}-2-ethylphenyl)-N'-(4-chlorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6109
N-(5-(tert-butyl)-3-{[(4-chloroanilino)carbonyl]amino}-2-ethylphenyl)-N'-(4-chlorophenyl)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

8006-6109

Molecular Formula

C26H28Cl2N4O2 (C26 H28 Cl2 N4 O2)

Compound Name

N-(5-(tert-butyl)-3-{[(4-chloroanilino)carbonyl]amino}-2-ethylphenyl)-N'-(4-chlorophenyl)urea

IUPAC name

3-(5-tert-butyl-3-{[(4-chlorophenyl)carbamoyl]amino}-2-ethylphenyl)-1-(4-chlorophenyl)urea

SMILES

CCc(c(NC(Nc(cc1)ccc1Cl)=O)cc(C(C)(C)C)c1)c1NC(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C26H28Cl2N4O2/c1-5-21-22(31-24(33)29-19-10-6-17(27)7-11-19)14-16(26(2,3)4)15-23(21)32-25(34)30-20-12-8-18(28)9-13-20/h6-15H,5H2,1-4H3,(H2,29,31,33)(H2,30,32,34)

InChI Key

AGZQQDXTSGWZED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.884

Distribution Coefficient, logD

8.884

Water Solubility, LogSw

-6.50

Polar Surface Area

63.449

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8006-6109 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8006-6109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6109?
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What is the minimum amount of 8006-6109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6109
  • 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 8006-6109 available by request