8001-5388 Screening compound: 3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoic acid

8001-5388 Screening compound: 3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoic acid
8001-5388 Screening compound: 3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-5388
3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoic acid

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

8001-5388

Molecular Formula

C12H11N3O6S (C12 H11 N3 O6 S)

Compound Name

3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)benzoic acid

IUPAC name

3-(6-methyl-24-dioxo-1234-tetrahydropyrimidine-5-sulfonamido)benzoic acid

SMILES

CC(NC(NC1=O)=O)=C1S(Nc1cc(C(O)=O)ccc1)(=O)=O

InChI

InChI=1S/C12H11N3O6S/c1-6-9(10(16)14-12(19)13-6)22(20,21)15-8-4-2-3-7(5-8)11(17)18/h2-5,15H,1H3,(H,17,18)(H2,13,14,16,19)

InChI Key

BMFHDLCYANDJQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00409897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.3

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.644

Distribution Coefficient, logD

-2.106

Water Solubility, LogSw

-2.17

Polar Surface Area

117.830

Acid Dissociation Constant (pKa)

4.65

Base Dissociation Constant (pKb)

-7.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8001-5388 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8001-5388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-5388?
Check Price and Availability of 8001-5388, 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 8001-5388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-5388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-5388
  • 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 8001-5388 available by request