C242-1006 Screening compound: N-(BUTAN-2-YL)-2-[5,6-DIMETHYL-2,4-DIOXO-3-(2-PHENYLETHYL)-1H,2H,3H,4H-THIENO[2,3-D]PYRIMIDIN-1-YL]ACETAMIDE

C242-1006 Screening compound: N-(BUTAN-2-YL)-2-[5,6-DIMETHYL-2,4-DIOXO-3-(2-PHENYLETHYL)-1H,2H,3H,4H-THIENO[2,3-D]PYRIMIDIN-1-YL]ACETAMIDE
C242-1006 Screening compound: N-(BUTAN-2-YL)-2-[5,6-DIMETHYL-2,4-DIOXO-3-(2-PHENYLETHYL)-1H,2H,3H,4H-THIENO[2,3-D]PYRIMIDIN-1-YL]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C242-1006
N-(BUTAN-2-YL)-2-[5,6-DIMETHYL-2,4-DIOXO-3-(2-PHENYLETHYL)-1H,2H,3H,4H-THIENO[2,3-D]PYRIMIDIN-1-YL]ACETAMIDE

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

C242-1006

Molecular Formula

C22H27N3O3S (C22 H27 N3 O3 S)

Compound Name

N-(BUTAN-2-YL)-2-[5,6-DIMETHYL-2,4-DIOXO-3-(2-PHENYLETHYL)-1H,2H,3H,4H-THIENO[2,3-D]PYRIMIDIN-1-YL]ACETAMIDE

IUPAC name

n/a

SMILES

CCC(C)NC(CN(c(sc(C)c1C)c1C(N1CCc2ccccc2)=O)C1=O)=O

InChI

InChI=1S/C22H27N3O3S/c1-5-14(2)23-18(26)13-25-21-19(15(3)16(4)29-21)20(27)24(22(25)28)12-11-17-9-7-6-8-10-17/h6-10,14H,5,11-13H2,1-4H3,(H,23,26)/t14-/m0/s1

InChI Key

VQGBFPKSKDMXOJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14735090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.910

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-4.10

Polar Surface Area

55.881

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C242-1006 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C242-1006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C242-1006?
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What is the minimum amount of C242-1006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C242-1006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C242-1006
  • 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 C242-1006 available by request