C241-2187 Screening compound: 3-[1-(carbamoylmethyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-chlorophenyl)ethyl]propanamide

C241-2187 Screening compound: 3-[1-(carbamoylmethyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-chlorophenyl)ethyl]propanamide
C241-2187 Screening compound: 3-[1-(carbamoylmethyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-chlorophenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-2187
3-[1-(carbamoylmethyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-chlorophenyl)ethyl]propanamide

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

C241-2187

Molecular Formula

C19H19ClN4O4S (C19 H19 ClN4 O4 S)

Compound Name

3-[1-(carbamoylmethyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-chlorophenyl)ethyl]propanamide

IUPAC name

3-[1-(carbamoylmethyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl]-N-[2-(4-chlorophenyl)ethyl]propanamide

SMILES

NC(CN(c1c(C(N2CCC(NCCc(cc3)ccc3Cl)=O)=O)scc1)C2=O)=O

InChI

InChI=1S/C19H19ClN4O4S/c20-13-3-1-12(2-4-13)5-8-22-16(26)6-9-23-18(27)17-14(7-10-29-17)24(19(23)28)11-15(21)25/h1-4,7,10H,5-6,8-9,11H2,(H2,21,25)(H,22,26)

InChI Key

UFKDMIXCHRVREJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.230

Distribution Coefficient, logD

1.230

Water Solubility, LogSw

-2.74

Polar Surface Area

90.236

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with C241-2187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-2187?
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What is the minimum amount of C241-2187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-2187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-2187
  • 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 C241-2187 available by request