8014-1459 Screening compound: 4,6-dimethoxy-2-{[({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)carbonyl]amino}pyrimidine

8014-1459 Screening compound: 4,6-dimethoxy-2-{[({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)carbonyl]amino}pyrimidine
8014-1459 Screening compound: 4,6-dimethoxy-2-{[({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)carbonyl]amino}pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1459
4,6-dimethoxy-2-{[({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)carbonyl]amino}pyrimidine

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

8014-1459

Molecular Formula

C14H13F3N4O6S (C14 H13 F3 N4 O6 S)

Compound Name

4,6-dimethoxy-2-{[({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)carbonyl]amino}pyrimidine

IUPAC name

3-(46-dimethoxypyrimidin-2-yl)-1-[4-(trifluoromethoxy)benzenesulfonyl]urea

SMILES

COc1nc(NC(NS(c(cc2)ccc2OC(F)(F)F)(=O)=O)=O)nc(OC)c1

InChI

InChI=1S/C14H13F3N4O6S/c1-25-10-7-11(26-2)19-12(18-10)20-13(22)21-28(23,24)9-5-3-8(4-6-9)27-14(15,16)17/h3-7H,1-2H3,(H2,18,19,20,21,22)

InChI Key

HMYJPGYMIBEFAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.597

Distribution Coefficient, logD

2.201

Water Solubility, LogSw

-4.03

Polar Surface Area

104.809

Acid Dissociation Constant (pKa)

6.02

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

8014-1459 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8014-1459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1459?
Check Price and Availability of 8014-1459, 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 8014-1459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1459
  • 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 8014-1459 available by request