C241-1721 Screening compound: 6-[1-({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(2-chlorophenyl)methyl]hexanamide

C241-1721 Screening compound: 6-[1-({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(2-chlorophenyl)methyl]hexanamide
C241-1721 Screening compound: 6-[1-({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(2-chlorophenyl)methyl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1721
6-[1-({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(2-chlorophenyl)methyl]hexanamide

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

C241-1721

Molecular Formula

C28H25Cl2F3N4O4S (C28 H25 Cl2 F3 N4 O4 S)

Compound Name

6-[1-({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(2-chlorophenyl)methyl]hexanamide

IUPAC name

6-[1-({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl]-N-[(2-chlorophenyl)methyl]hexanamide

SMILES

O=C(CCCCCN(C(c(scc1)c1N1CC(Nc(cc(C(F)(F)F)cc2)c2Cl)=O)=O)C1=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C28H25Cl2F3N4O4S/c29-19-7-4-3-6-17(19)15-34-23(38)8-2-1-5-12-36-26(40)25-22(11-13-42-25)37(27(36)41)16-24(39)35-21-14-18(28(31,32)33)9-10-20(21)30/h3-4,6-7,9-11,13-14H,1-2,5,8,12,15-16H2,(H,34,38)(H,35,39)

InChI Key

CBPKGFDOZIRLFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

641.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.980

Distribution Coefficient, logD

5.949

Water Solubility, LogSw

-6.24

Polar Surface Area

79.187

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C241-1721 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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 C241-1721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1721?
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What is the minimum amount of C241-1721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1721
  • 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 C241-1721 available by request