C138-1180 Screening compound: N-[2-(diethylamino)ethyl]-2-{6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

C138-1180 Screening compound: N-[2-(diethylamino)ethyl]-2-{6-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide
C138-1180 Screening compound: N-[2-(diethylamino)ethyl]-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 C138-1180
N-[2-(diethylamino)ethyl]-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

C138-1180

Molecular Formula

C20H32N6O4S2 (C20 H32 N6 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)CCNC(CN(C=Nc1c2c(S(N3CCN(C)CC3)(=O)=O)c(C)s1)C2=O)=O

InChI

InChI=1S/C20H32N6O4S2/c1-5-24(6-2)8-7-21-16(27)13-25-14-22-19-17(20(25)28)18(15(3)31-19)32(29,30)26-11-9-23(4)10-12-26/h14H,5-13H2,1-4H3,(H,21,27)

InChI Key

UXAMWZOZFDBGPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.262

Distribution Coefficient, logD

-1.894

Water Solubility, LogSw

-1.55

Polar Surface Area

89.424

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

C138-1180 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 C138-1180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-1180?
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What is the minimum amount of C138-1180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-1180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-1180
  • 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 C138-1180 available by request