K305-0404 Screening compound: 3-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-N~6~,N~6~,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide

K305-0404 Screening compound: 3-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-N~6~,N~6~,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
K305-0404 Screening compound: 3-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-N~6~,N~6~,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0404
3-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-N~6~,N~6~,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide

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

K305-0404

Molecular Formula

C25H23FN4O4S (C25 H23 FN4 O4 S)

Compound Name

3-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-N~6~,N~6~,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

n/a

SMILES

Cc1c(C(N(C)C)=O)sc(N(CC(Nc(cccc2)c2F)=O)C(N2Cc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C25H23FN4O4S/c1-15-20-22(32)29(13-16-9-5-4-6-10-16)25(34)30(24(20)35-21(15)23(33)28(2)3)14-19(31)27-18-12-8-7-11-17(18)26/h4-12H,13-14H2,1-3H3,(H,27,31)

InChI Key

PYYYJTLVKKNZEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.033

Distribution Coefficient, logD

3.033

Water Solubility, LogSw

-3.22

Polar Surface Area

70.171

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K305-0404 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K305-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0404?
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What is the minimum amount of K305-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0404
  • 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 K305-0404 available by request