F669-0040 Screening compound: 5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-1,3,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

F669-0040 Screening compound: 5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-1,3,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
F669-0040 Screening compound: 5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-1,3,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F669-0040
5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-1,3,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

F669-0040

Molecular Formula

C17H20N6O4S2 (C17 H20 N6 O4 S2)

Compound Name

5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-1,3,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

5-[4-(213-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-136-trimethyl-1234-tetrahydropyrimidine-24-dione

SMILES

CC(N(C)C(N(C)C1=O)=O)=C1N(CC1)CCN1S(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C17H20N6O4S2/c1-11-15(16(24)21(3)17(25)20(11)2)22-7-9-23(10-8-22)29(26,27)13-6-4-5-12-14(13)19-28-18-12/h4-6H,7-10H2,1-3H3

InChI Key

CYPCZFGJFUOJOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14961777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.520

Distribution Coefficient, logD

1.520

Water Solubility, LogSw

-2.18

Polar Surface Area

87.684

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

F669-0040 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Serine Proteases Inhibitors Library (32732 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

References: we are preparing a list of scientific research reports with F669-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F669-0040?
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What is the minimum amount of F669-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F669-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F669-0040
  • 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 F669-0040 available by request