4035-0058 Screening compound: 4-{7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}benzene-1-sulfonyl fluoride

4035-0058 Screening compound: 4-{7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}benzene-1-sulfonyl fluoride
4035-0058 Screening compound: 4-{7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}benzene-1-sulfonyl fluoride alternative view

Chemical Structure Depiction of ChemDiv screening compound 4035-0058
4-{7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}benzene-1-sulfonyl fluoride

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

4035-0058

Molecular Formula

C17H13FN4O2S (C17 H13 FN4 O2 S)

Compound Name

4-{7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}benzene-1-sulfonyl fluoride

IUPAC name

4-{7-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-5-yl}benzene-1-sulfonyl fluoride

SMILES

O=S(c(cc1)ccc1C1=CC(c2ccccc2)n2ncnc2N1)(F)=O

InChI

InChI=1S/C17H13FN4O2S/c18-25(23,24)14-8-6-12(7-9-14)15-10-16(13-4-2-1-3-5-13)22-17(21-15)19-11-20-22/h1-11,16H,(H,19,20,21)/t16-/m1/s1

InChI Key

AHCUZADLRZYYTM-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD00564645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.832

Distribution Coefficient, logD

3.828

Water Solubility, LogSw

-4.26

Polar Surface Area

68.489

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.90

4035-0058 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4035-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4035-0058?
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What is the minimum amount of 4035-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4035-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4035-0058
  • 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 4035-0058 available by request