8602-0014 Screening compound: N-(4-{[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl}phenyl)acetamide

8602-0014 Screening compound: N-(4-{[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl}phenyl)acetamide
8602-0014 Screening compound: N-(4-{[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0014
N-(4-{[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl}phenyl)acetamide

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

8602-0014

Molecular Formula

C17H16F3N5O6S (C17 H16 F3 N5 O6 S)

Compound Name

N-(4-{[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl}phenyl)acetamide

IUPAC name

N-(4-{[13-dimethyl-246-trioxo-5-(trifluoromethyl)-1H2H3H4H5H6H7H-pyrrolo[23-d]pyrimidin-5-yl]sulfamoyl}phenyl)acetamide

SMILES

CC(Nc(cc1)ccc1S(NC(C(F)(F)F)(C(C(N1C)=O)=C(N2)N(C)C1=O)C2=O)(=O)=O)=O

InChI

InChI=1S/C17H16F3N5O6S/c1-8(26)21-9-4-6-10(7-5-9)32(30,31)23-16(17(18,19)20)11-12(22-14(16)28)24(2)15(29)25(3)13(11)27/h4-7,23H,1-3H3,(H,21,26)(H,22,28)/t16-/m0/s1

InChI Key

ADPFLXJQLMNFIT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD05999028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.41

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.400

Distribution Coefficient, logD

-3.195

Water Solubility, LogSw

-2.35

Polar Surface Area

122.157

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

8602-0014 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8602-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0014?
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What is the minimum amount of 8602-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0014
  • 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 8602-0014 available by request