G346-0175 Screening compound: 4-{[1-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}-N-methylcyclohexane-1-carboxamide

G346-0175 Screening compound: 4-{[1-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}-N-methylcyclohexane-1-carboxamide
G346-0175 Screening compound: 4-{[1-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}-N-methylcyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G346-0175
4-{[1-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}-N-methylcyclohexane-1-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

G346-0175

Molecular Formula

C24H27FN4O4S (C24 H27 FN4 O4 S)

Compound Name

4-{[1-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}-N-methylcyclohexane-1-carboxamide

IUPAC name

4-{[1-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl]methyl}-N-methylcyclohexane-1-carboxamide

SMILES

CNC(C1CCC(CN(C(c(scc2)c2N2CC(NCc(cc3)ccc3F)=O)=O)C2=O)CC1)=O

InChI

InChI=1S/C24H27FN4O4S/c1-26-22(31)17-6-2-16(3-7-17)13-29-23(32)21-19(10-11-34-21)28(24(29)33)14-20(30)27-12-15-4-8-18(25)9-5-15/h4-5,8-11,16-17H,2-3,6-7,12-14H2,1H3,(H,26,31)(H,27,30)

InChI Key

DJGAPNBXOOCMMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.929

Distribution Coefficient, logD

2.929

Water Solubility, LogSw

-3.25

Polar Surface Area

81.784

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

G346-0175 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G346-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G346-0175?
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What is the minimum amount of G346-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G346-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G346-0175
  • 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 G346-0175 available by request