C241-1639 Screening compound: 2-[3-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]-N,N-dipropylacetamide

C241-1639 Screening compound: 2-[3-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]-N,N-dipropylacetamide
C241-1639 Screening compound: 2-[3-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]-N,N-dipropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1639
2-[3-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]-N,N-dipropylacetamide

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

C241-1639

Molecular Formula

C26H34N4O6S (C26 H34 N4 O6 S)

Compound Name

2-[3-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]-N,N-dipropylacetamide

IUPAC name

2-[3-({[2-(34-dimethoxyphenyl)ethyl]carbamoyl}methyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-1-yl]-NN-dipropylacetamide

SMILES

CCCN(CCC)C(CN(c1c(C(N2CC(NCCc(cc3)cc(OC)c3OC)=O)=O)scc1)C2=O)=O

InChI

InChI=1S/C26H34N4O6S/c1-5-12-28(13-6-2)23(32)17-29-19-10-14-37-24(19)25(33)30(26(29)34)16-22(31)27-11-9-18-7-8-20(35-3)21(15-18)36-4/h7-8,10,14-15H,5-6,9,11-13,16-17H2,1-4H3,(H,27,31)

InChI Key

OUJRTQOCHCLXBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.001

Distribution Coefficient, logD

2.001

Water Solubility, LogSw

-2.82

Polar Surface Area

88.043

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C241-1639 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C241-1639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1639?
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What is the minimum amount of C241-1639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1639
  • 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 C241-1639 available by request