K305-0048 Screening compound: 1-{[(4-bromo-2-fluorophenyl)carbamoyl]methyl}-3-(3,4-dichlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K305-0048 Screening compound: 1-{[(4-bromo-2-fluorophenyl)carbamoyl]methyl}-3-(3,4-dichlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K305-0048 Screening compound: 1-{[(4-bromo-2-fluorophenyl)carbamoyl]methyl}-3-(3,4-dichlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0048
1-{[(4-bromo-2-fluorophenyl)carbamoyl]methyl}-3-(3,4-dichlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[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

K305-0048

Molecular Formula

C24H18BrCl2FN4O4S (C24 H18 BrCl2 FN4 O4 S)

Compound Name

1-{[(4-bromo-2-fluorophenyl)carbamoyl]methyl}-3-(3,4-dichlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

1-{[(4-bromo-2-fluorophenyl)carbamoyl]methyl}-3-(34-dichlorophenyl)-NN5-trimethyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(N(C)C)=O)sc(N(CC(Nc(ccc(Br)c2)c2F)=O)C(N2c(cc3)cc(Cl)c3Cl)=O)c1C2=O

InChI

InChI=1S/C24H18BrCl2FN4O4S/c1-11-19-21(34)32(13-5-6-14(26)15(27)9-13)24(36)31(23(19)37-20(11)22(35)30(2)3)10-18(33)29-17-7-4-12(25)8-16(17)28/h4-9H,10H2,1-3H3,(H,29,33)

InChI Key

XXXUBCQRFCOQOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

628.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.572

Distribution Coefficient, logD

4.567

Water Solubility, LogSw

-4.75

Polar Surface Area

69.559

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K305-0048 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with K305-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0048?
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What is the minimum amount of K305-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0048
  • 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 K305-0048 available by request