G346-0499 Screening compound: N-butyl-4-{[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-methyl-1-cyclohexanecarboxamide

G346-0499 Screening compound: N-butyl-4-{[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-methyl-1-cyclohexanecarboxamide
G346-0499 Screening compound: N-butyl-4-{[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-methyl-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G346-0499
N-butyl-4-{[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-methyl-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

G346-0499

Molecular Formula

C25H38N4O4S (C25 H38 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C)C(C1CCC(CN(C(c(scc2)c2N2CC(N(CC)CC)=O)=O)C2=O)CC1)=O

InChI

InChI=1S/C25H38N4O4S/c1-5-8-14-26(4)23(31)19-11-9-18(10-12-19)16-29-24(32)22-20(13-15-34-22)28(25(29)33)17-21(30)27(6-2)7-3/h13,15,18-19H,5-12,14,16-17H2,1-4H3

InChI Key

CHLSWFMQRLMFCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14999782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.651

Distribution Coefficient, logD

3.651

Water Solubility, LogSw

-3.67

Polar Surface Area

64.554

Acid Dissociation Constant (pKa)

23.07

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.00

G346-0499 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G346-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G346-0499?
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What is the minimum amount of G346-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G346-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G346-0499
  • 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 G346-0499 available by request