C060-0095 Screening compound: N-butyl-4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-methylbutanamide

C060-0095 Screening compound: N-butyl-4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-methylbutanamide
C060-0095 Screening compound: N-butyl-4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C060-0095
N-butyl-4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-methylbutanamide

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

C060-0095

Molecular Formula

C19H28N4O3S (C19 H28 N4 O3 S)

Compound Name

N-butyl-4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-methylbutanamide

IUPAC name

N-butyl-4-(2-{56-dimethyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}acetamido)-N-methylbutanamide

SMILES

CCCCN(C)C(CCCNC(CN(C=Nc1c2c(C)c(C)s1)C2=O)=O)=O

InChI

InChI=1S/C19H28N4O3S/c1-5-6-10-22(4)16(25)8-7-9-20-15(24)11-23-12-21-18-17(19(23)26)13(2)14(3)27-18/h12H,5-11H2,1-4H3,(H,20,24)

InChI Key

OUABXVBBSAWJEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.190

Distribution Coefficient, logD

1.190

Water Solubility, LogSw

-1.89

Polar Surface Area

66.699

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

C060-0095 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C060-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C060-0095?
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What is the minimum amount of C060-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C060-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C060-0095
  • 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 C060-0095 available by request