3909-8592 Screening compound: 3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid

3909-8592 Screening compound: 3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
3909-8592 Screening compound: 3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-8592
3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic 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

3909-8592

Molecular Formula

C17H14ClN3O4S (C17 H14 ClN3 O4 S)

Compound Name

3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid

IUPAC name

n/a

SMILES

Cc1c(C(O)=O)sc(N=CN2CC(Nc3cc(Cl)c(C)cc3)=O)c1C2=O

InChI

InChI=1S/C17H14ClN3O4S/c1-8-3-4-10(5-11(8)18)20-12(22)6-21-7-19-15-13(16(21)23)9(2)14(26-15)17(24)25/h3-5,7H,6H2,1-2H3,(H,20,22)(H,24,25)

InChI Key

XBZCXCOBBINKNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03030538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.837

Distribution Coefficient, logD

-1.115

Water Solubility, LogSw

-3.18

Polar Surface Area

77.799

Acid Dissociation Constant (pKa)

3.45

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

3909-8592 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3909-8592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-8592?
Check Price and Availability of 3909-8592, 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 3909-8592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-8592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-8592
  • 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 3909-8592 available by request