G346-0022 Screening compound: 4-({2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-(2-phenylpropyl)cyclohexane-1-carboxamide

G346-0022 Screening compound: 4-({2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-(2-phenylpropyl)cyclohexane-1-carboxamide
G346-0022 Screening compound: 4-({2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-(2-phenylpropyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G346-0022
4-({2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-(2-phenylpropyl)cyclohexane-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

G346-0022

Molecular Formula

C23H27N3O3S (C23 H27 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CNC(C1CCC(CN(C(c(scc2)c2N2)=O)C2=O)CC1)=O)c1ccccc1

InChI

InChI=1S/C23H27N3O3S/c1-15(17-5-3-2-4-6-17)13-24-21(27)18-9-7-16(8-10-18)14-26-22(28)20-19(11-12-30-20)25-23(26)29/h2-6,11-12,15-16,18H,7-10,13-14H2,1H3,(H,24,27)(H,25,29)/t15-,16?,18?/m0/s1

InChI Key

LJUBHCRFHXMRKN-HJOIGYKYSA-N

MDL Number (MFCD)

MFCD08141461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.747

Distribution Coefficient, logD

4.747

Water Solubility, LogSw

-4.41

Polar Surface Area

66.104

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

G346-0022 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G346-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G346-0022?
Check Price and Availability of G346-0022, 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 G346-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G346-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G346-0022
  • 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 G346-0022 available by request