C060-0126 Screening compound: 4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide

C060-0126 Screening compound: 4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide
C060-0126 Screening compound: 4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C060-0126
4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide

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

C060-0126

Molecular Formula

C24H37N5O3S (C24 H37 N5 O3 S)

Compound Name

4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide

IUPAC name

4-(2-{56-dimethyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}acetamido)-N-[3-(35-dimethylpiperidin-1-yl)propyl]butanamide

SMILES

CC1CN(CCCNC(CCCNC(CN(C=Nc2c3c(C)c(C)s2)C3=O)=O)=O)CC(C)C1

InChI

InChI=1S/C24H37N5O3S/c1-16-11-17(2)13-28(12-16)10-6-9-25-20(30)7-5-8-26-21(31)14-29-15-27-23-22(24(29)32)18(3)19(4)33-23/h15-17H,5-14H2,1-4H3,(H,25,30)(H,26,31)

InChI Key

MGPMWKVMKRALBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.198

Distribution Coefficient, logD

-1.407

Water Solubility, LogSw

-1.92

Polar Surface Area

78.717

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

C060-0126 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C060-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C060-0126?
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What is the minimum amount of C060-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C060-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C060-0126
  • 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 C060-0126 available by request