C172-0614 Screening compound: 5-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(3-methylbutyl)pentanamide

C172-0614 Screening compound: 5-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(3-methylbutyl)pentanamide
C172-0614 Screening compound: 5-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(3-methylbutyl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C172-0614
5-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(3-methylbutyl)pentanamide

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

C172-0614

Molecular Formula

C16H23N3O3S (C16 H23 N3 O3 S)

Compound Name

5-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(3-methylbutyl)pentanamide

IUPAC name

5-{24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}-N-(3-methylbutyl)pentanamide

SMILES

CC(C)CCNC(CCCCN(C(c(scc1)c1N1)=O)C1=O)=O

InChI

InChI=1S/C16H23N3O3S/c1-11(2)6-8-17-13(20)5-3-4-9-19-15(21)14-12(7-10-23-14)18-16(19)22/h7,10-11H,3-6,8-9H2,1-2H3,(H,17,20)(H,18,22)

InChI Key

GKWKJYJKOUPECR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.046

Distribution Coefficient, logD

2.045

Water Solubility, LogSw

-2.78

Polar Surface Area

66.062

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

C172-0614 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C172-0614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0614?
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What is the minimum amount of C172-0614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0614
  • 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 C172-0614 available by request