C172-0745 Screening compound: N~1~-(2,3-dimethylcyclohexyl)-4-{[2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}benzamide

C172-0745 Screening compound: N~1~-(2,3-dimethylcyclohexyl)-4-{[2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}benzamide
C172-0745 Screening compound: N~1~-(2,3-dimethylcyclohexyl)-4-{[2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C172-0745
N~1~-(2,3-dimethylcyclohexyl)-4-{[2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}benzamide

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

C172-0745

Molecular Formula

C22H25N3O3S (C22 H25 N3 O3 S)

Compound Name

N~1~-(2,3-dimethylcyclohexyl)-4-{[2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}benzamide

IUPAC name

N-(23-dimethylcyclohexyl)-4-({24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}methyl)benzamide

SMILES

CC(CCC1)C(C)C1NC(c1ccc(CN(C(c(scc2)c2N2)=O)C2=O)cc1)=O

InChI

InChI=1S/C22H25N3O3S/c1-13-4-3-5-17(14(13)2)23-20(26)16-8-6-15(7-9-16)12-25-21(27)19-18(10-11-29-19)24-22(25)28/h6-11,13-14,17H,3-5,12H2,1-2H3,(H,23,26)(H,24,28)

InChI Key

WMJVAXRNMPDTRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.648

Distribution Coefficient, logD

3.648

Water Solubility, LogSw

-3.89

Polar Surface Area

66.027

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with C172-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0745?
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What is the minimum amount of C172-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0745
  • 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 C172-0745 available by request