C060-0128 Screening compound: 4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-[2-(pyrrolidin-1-yl)ethyl]butanamide

C060-0128 Screening compound: 4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-[2-(pyrrolidin-1-yl)ethyl]butanamide
C060-0128 Screening compound: 4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-[2-(pyrrolidin-1-yl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C060-0128
4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-[2-(pyrrolidin-1-yl)ethyl]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

C060-0128

Molecular Formula

C20H29N5O3S (C20 H29 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C)sc(N=CN2CC(NCCCC(NCCN3CCCC3)=O)=O)c1C2=O

InChI

InChI=1S/C20H29N5O3S/c1-14-15(2)29-19-18(14)20(28)25(13-23-19)12-17(27)21-7-5-6-16(26)22-8-11-24-9-3-4-10-24/h13H,3-12H2,1-2H3,(H,21,27)(H,22,26)

InChI Key

SCZOQCSEPKAMJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.129

Distribution Coefficient, logD

-2.285

Water Solubility, LogSw

-1.53

Polar Surface Area

79.216

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with C060-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C060-0128?
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What is the minimum amount of C060-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C060-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C060-0128
  • 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 C060-0128 available by request