G346-0191 Screening compound: 4-({1-[(2-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-methylcyclohexane-1-carboxamide

G346-0191 Screening compound: 4-({1-[(2-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-methylcyclohexane-1-carboxamide
G346-0191 Screening compound: 4-({1-[(2-fluorophenyl)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 G346-0191
4-({1-[(2-fluorophenyl)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

G346-0191

Molecular Formula

C22H24FN3O3S (C22 H24 FN3 O3 S)

Compound Name

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

IUPAC name

4-({1-[(2-fluorophenyl)methyl]-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}methyl)-N-methylcyclohexane-1-carboxamide

SMILES

CNC(C1CCC(CN(C(c(scc2)c2N2Cc(cccc3)c3F)=O)C2=O)CC1)=O

InChI

InChI=1S/C22H24FN3O3S/c1-24-20(27)15-8-6-14(7-9-15)12-26-21(28)19-18(10-11-30-19)25(22(26)29)13-16-4-2-3-5-17(16)23/h2-5,10-11,14-15H,6-9,12-13H2,1H3,(H,24,27)

InChI Key

BKERHFJDBXAYOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.057

Distribution Coefficient, logD

4.057

Water Solubility, LogSw

-4.09

Polar Surface Area

57.313

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with G346-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G346-0191?
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What is the minimum amount of G346-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G346-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G346-0191
  • 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 G346-0191 available by request