C241-1552 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[1-(carbamoylmethyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide

C241-1552 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[1-(carbamoylmethyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide
C241-1552 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[1-(carbamoylmethyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1552
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[1-(carbamoylmethyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide

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

C241-1552

Molecular Formula

C22H24N4O6S (C22 H24 N4 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[1-(carbamoylmethyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-6-[1-(carbamoylmethyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl]hexanamide

SMILES

NC(CN(c1c(C(N2CCCCCC(NCc(cc3)cc4c3OCO4)=O)=O)scc1)C2=O)=O

InChI

InChI=1S/C22H24N4O6S/c23-18(27)12-26-15-7-9-33-20(15)21(29)25(22(26)30)8-3-1-2-4-19(28)24-11-14-5-6-16-17(10-14)32-13-31-16/h5-7,9-10H,1-4,8,11-13H2,(H2,23,27)(H,24,28)

InChI Key

PLBZOBZXUHQZMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.530

Distribution Coefficient, logD

1.530

Water Solubility, LogSw

-2.64

Polar Surface Area

107.510

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C241-1552 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C241-1552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1552?
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What is the minimum amount of C241-1552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1552
  • 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 C241-1552 available by request