C138-1124 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-{6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

C138-1124 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-{6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide
C138-1124 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-{6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C138-1124
N-(3-chloro-4-methoxyphenyl)-2-{6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-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

C138-1124

Molecular Formula

C21H24ClN5O5S2 (C21 H24 ClN5 O5 S2)

Compound Name

N-(3-chloro-4-methoxyphenyl)-2-{6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-2-{6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}acetamide

SMILES

Cc(sc(N=CN1CC(Nc(cc2)cc(Cl)c2OC)=O)c2C1=O)c2S(N1CCN(C)CC1)(=O)=O

InChI

InChI=1S/C21H24ClN5O5S2/c1-13-19(34(30,31)27-8-6-25(2)7-9-27)18-20(33-13)23-12-26(21(18)29)11-17(28)24-14-4-5-16(32-3)15(22)10-14/h4-5,10,12H,6-9,11H2,1-3H3,(H,24,28)

InChI Key

NJWPCOUGSGMCRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.04

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.613

Distribution Coefficient, logD

1.550

Water Solubility, LogSw

-3.15

Polar Surface Area

92.209

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C138-1124 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C138-1124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-1124?
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What is the minimum amount of C138-1124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-1124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-1124
  • 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 C138-1124 available by request