4478-7603 Screening compound: N'-(2-{[(4-CHLOROANILINO)CARBONYL]AMINO}ETHYL)-N-(4-CHLOROPHENYL)UREA

4478-7603 Screening compound: N'-(2-{[(4-CHLOROANILINO)CARBONYL]AMINO}ETHYL)-N-(4-CHLOROPHENYL)UREA
4478-7603 Screening compound: N'-(2-{[(4-CHLOROANILINO)CARBONYL]AMINO}ETHYL)-N-(4-CHLOROPHENYL)UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-7603
N'-(2-{[(4-CHLOROANILINO)CARBONYL]AMINO}ETHYL)-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

4478-7603

Molecular Formula

C16H16Cl2N4O2 (C16 H16 Cl2 N4 O2)

Compound Name

N'-(2-{[(4-CHLOROANILINO)CARBONYL]AMINO}ETHYL)-N-(4-CHLOROPHENYL)UREA

IUPAC name

n/a

SMILES

O=C(NCCNC(Nc(cc1)ccc1Cl)=O)Nc(cc1)ccc1Cl

InChI

InChI=1S/C16H16Cl2N4O2/c17-11-1-5-13(6-2-11)21-15(23)19-9-10-20-16(24)22-14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H2,19,21,23)(H2,20,22,24)

InChI Key

XLUJTXUIQHBVGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01335343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.659

Distribution Coefficient, logD

3.659

Water Solubility, LogSw

-4.09

Polar Surface Area

67.443

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.00

4478-7603 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4478-7603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-7603?
Check Price and Availability of 4478-7603, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4478-7603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-7603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-7603
  • 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 4478-7603 available by request