C172-0313 Screening compound: 4-{[2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N~1~-(4-methylbenzyl)-1-cyclohexanecarboxamide

C172-0313 Screening compound: 4-{[2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N~1~-(4-methylbenzyl)-1-cyclohexanecarboxamide
C172-0313 Screening compound: 4-{[2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N~1~-(4-methylbenzyl)-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C172-0313
4-{[2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N~1~-(4-methylbenzyl)-1-cyclohexanecarboxamide

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

C172-0313

Molecular Formula

C22H25N3O3S (C22 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(C2CCC(CN(C(c(scc3)c3N3)=O)C3=O)CC2)=O)cc1

InChI

InChI=1S/C22H25N3O3S/c1-14-2-4-15(5-3-14)12-23-20(26)17-8-6-16(7-9-17)13-25-21(27)19-18(10-11-29-19)24-22(25)28/h2-5,10-11,16-17H,6-9,12-13H2,1H3,(H,23,26)(H,24,28)

InChI Key

FHODZKTYUHUSML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723928

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

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.906

Distribution Coefficient, logD

3.905

Water Solubility, LogSw

-3.85

Polar Surface Area

66.104

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with C172-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0313?
Check Price and Availability of C172-0313, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C172-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0313
  • 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 C172-0313 available by request