C060-0075 Screening compound: 4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-[(1-ethylpyrrolidin-2-yl)methyl]butanamide

C060-0075 Screening compound: 4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-[(1-ethylpyrrolidin-2-yl)methyl]butanamide
C060-0075 Screening compound: 4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-[(1-ethylpyrrolidin-2-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C060-0075
4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-[(1-ethylpyrrolidin-2-yl)methyl]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

C060-0075

Molecular Formula

C21H31N5O3S (C21 H31 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCN1C(CNC(CCCNC(CN(C=Nc2c3c(C)c(C)s2)C3=O)=O)=O)CCC1

InChI

InChI=1S/C21H31N5O3S/c1-4-25-10-6-7-16(25)11-23-17(27)8-5-9-22-18(28)12-26-13-24-20-19(21(26)29)14(2)15(3)30-20/h13,16H,4-12H2,1-3H3,(H,22,28)(H,23,27)/t16-/m1/s1

InChI Key

UQVCDKDNTXUWQD-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14714218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.58

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

0.115

Distribution Coefficient, logD

-1.069

Water Solubility, LogSw

-1.57

Polar Surface Area

78.932

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

8.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

C060-0075 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 C060-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C060-0075?
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What is the minimum amount of C060-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C060-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C060-0075
  • 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 C060-0075 available by request