V014-5082 Screening compound: 2-[(propylamino)methyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

V014-5082 Screening compound: 2-[(propylamino)methyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
V014-5082 Screening compound: 2-[(propylamino)methyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-5082
2-[(propylamino)methyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

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

V014-5082

Molecular Formula

C13H17N3OS (C13 H17 N3 OS)

Compound Name

2-[(propylamino)methyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

10-[(propylamino)methyl]-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)9-trien-12-one

SMILES

CCCNCC(N1)=Nc(sc2c3CCC2)c3C1=O

InChI

InChI=1S/C13H17N3OS/c1-2-6-14-7-10-15-12(17)11-8-4-3-5-9(8)18-13(11)16-10/h14H,2-7H2,1H3,(H,15,16,17)

InChI Key

UZWKMASDLFYFDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10455078

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

263.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.016

Distribution Coefficient, logD

1.918

Water Solubility, LogSw

-2.31

Polar Surface Area

47.240

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with V014-5082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-5082?
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What is the minimum amount of V014-5082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-5082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-5082
  • 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 V014-5082 available by request