C138-1155 Screening compound: 6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3H,4H-thieno[2,3-d]pyrimidin-4-one

C138-1155 Screening compound: 6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3H,4H-thieno[2,3-d]pyrimidin-4-one
C138-1155 Screening compound: 6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C138-1155
6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3H,4H-thieno[2,3-d]pyrimidin-4-one

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

C138-1155

Molecular Formula

C20H29N5O4S2 (C20 H29 N5 O4 S2)

Compound Name

6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

CC(CC1)CCN1C(CN(C=Nc1c2c(S(N3CCN(C)CC3)(=O)=O)c(C)s1)C2=O)=O

InChI

InChI=1S/C20H29N5O4S2/c1-14-4-6-23(7-5-14)16(26)12-24-13-21-19-17(20(24)27)18(15(2)30-19)31(28,29)25-10-8-22(3)9-11-25/h13-14H,4-12H2,1-3H3

InChI Key

LLSXPWLSPKQWMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.383

Distribution Coefficient, logD

0.320

Water Solubility, LogSw

-1.42

Polar Surface Area

77.821

Acid Dissociation Constant (pKa)

26.18

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

C138-1155 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C138-1155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-1155?
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What is the minimum amount of C138-1155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-1155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-1155
  • 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 C138-1155 available by request