K815-2000 Screening compound: 1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea

K815-2000 Screening compound: 1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea
K815-2000 Screening compound: 1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K815-2000
1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)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

K815-2000

Molecular Formula

C13H10BrN3O4 (C13 H10 BrN3 O4)

Compound Name

1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea

IUPAC name

1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea

SMILES

[O-][N+](c(cc1)cc(O)c1NC(Nc(cccc1)c1Br)=O)=O

InChI

InChI=1S/C13H10BrN3O4/c14-9-3-1-2-4-10(9)15-13(19)16-11-6-5-8(17(20)21)7-12(11)18/h1-7,18H,(H2,15,16,19)

InChI Key

MQBZVUNNWUIPMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00954637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.14

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.382

Distribution Coefficient, logD

3.308

Water Solubility, LogSw

-3.46

Polar Surface Area

81.075

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

K815-2000 in Drug Discovery

Included in Screening Libraries

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

Human GPCR Annotated Library (5539 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K815-2000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K815-2000?
Check Price and Availability of K815-2000, 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 K815-2000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K815-2000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K815-2000
  • 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 K815-2000 available by request