V016-9987 Screening compound: 2-{[[3-(2-furylmethoxy)-2-hydroxypropyl](2-furylmethyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

V016-9987 Screening compound: 2-{[[3-(2-furylmethoxy)-2-hydroxypropyl](2-furylmethyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
V016-9987 Screening compound: 2-{[[3-(2-furylmethoxy)-2-hydroxypropyl](2-furylmethyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9987
2-{[[3-(2-furylmethoxy)-2-hydroxypropyl](2-furylmethyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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

V016-9987

Molecular Formula

C25H29N3O5S (C25 H29 N3 O5 S)

Compound Name

2-{[[3-(2-furylmethoxy)-2-hydroxypropyl](2-furylmethyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

5-[({3-[(furan-2-yl)methoxy]-2-hydroxypropyl}[(furan-2-yl)methyl]amino)methyl]-11-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CC(CC1)Cc2c1c(C(NC(CN(CC(COCc1ccco1)O)Cc1ccco1)=N1)=O)c1s2

InChI

InChI=1S/C25H29N3O5S/c1-16-6-7-20-21(10-16)34-25-23(20)24(30)26-22(27-25)13-28(12-18-4-2-8-32-18)11-17(29)14-31-15-19-5-3-9-33-19/h2-5,8-9,16-17,29H,6-7,10-15H2,1H3,(H,26,27,30)

InChI Key

PWKWVZJNAUMQEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19873998

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.651

Distribution Coefficient, logD

3.650

Water Solubility, LogSw

-4.19

Polar Surface Area

78.986

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with V016-9987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9987?
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What is the minimum amount of V016-9987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9987
  • 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 V016-9987 available by request