8003-4399 Screening compound: 3-(3-chloro-2-hydroxy-5-nitrophenyl)-1-(pyridine-3-carbonyl)thiourea

8003-4399 Screening compound: 3-(3-chloro-2-hydroxy-5-nitrophenyl)-1-(pyridine-3-carbonyl)thiourea
8003-4399 Screening compound: 3-(3-chloro-2-hydroxy-5-nitrophenyl)-1-(pyridine-3-carbonyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4399
3-(3-chloro-2-hydroxy-5-nitrophenyl)-1-(pyridine-3-carbonyl)thiourea

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

8003-4399

Molecular Formula

C13H9ClN4O4S (C13 H9 ClN4 O4 S)

Compound Name

3-(3-chloro-2-hydroxy-5-nitrophenyl)-1-(pyridine-3-carbonyl)thiourea

IUPAC name

3-(3-chloro-2-hydroxy-5-nitrophenyl)-1-(pyridine-3-carbonyl)thiourea

SMILES

[O-][N+](c(cc1NC(NC(c2cnccc2)=O)=S)cc(Cl)c1O)=O

InChI

InChI=1S/C13H9ClN4O4S/c14-9-4-8(18(21)22)5-10(11(9)19)16-13(23)17-12(20)7-2-1-3-15-6-7/h1-6,19H,(H2,16,17,20,23)

InChI Key

BTQYPSNWPIQTIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00391949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.76

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.560

Distribution Coefficient, logD

1.743

Water Solubility, LogSw

-3.44

Polar Surface Area

90.920

Acid Dissociation Constant (pKa)

6.66

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8003-4399 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8003-4399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4399?
Check Price and Availability of 8003-4399, 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 8003-4399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4399
  • 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 8003-4399 available by request