V008-3466 Screening compound: 2-({benzyl[2-hydroxy-3-(2-methylpropoxy)propyl]amino}methyl)-5-(3,4-dimethoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

V008-3466 Screening compound: 2-({benzyl[2-hydroxy-3-(2-methylpropoxy)propyl]amino}methyl)-5-(3,4-dimethoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
V008-3466 Screening compound: 2-({benzyl[2-hydroxy-3-(2-methylpropoxy)propyl]amino}methyl)-5-(3,4-dimethoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3466
2-({benzyl[2-hydroxy-3-(2-methylpropoxy)propyl]amino}methyl)-5-(3,4-dimethoxyphenyl)-3H,4H-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

V008-3466

Molecular Formula

C29H35N3O5S (C29 H35 N3 O5 S)

Compound Name

2-({benzyl[2-hydroxy-3-(2-methylpropoxy)propyl]amino}methyl)-5-(3,4-dimethoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

2-({benzyl[2-hydroxy-3-(2-methylpropoxy)propyl]amino}methyl)-5-(34-dimethoxyphenyl)-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

CC(C)COCC(CN(Cc1ccccc1)CC(N1)=Nc(scc2-c(cc3)cc(OC)c3OC)c2C1=O)O

InChI

InChI=1S/C29H35N3O5S/c1-19(2)16-37-17-22(33)14-32(13-20-8-6-5-7-9-20)15-26-30-28(34)27-23(18-38-29(27)31-26)21-10-11-24(35-3)25(12-21)36-4/h5-12,18-19,22,33H,13-17H2,1-4H3,(H,30,31,34)/t22-/m0/s1

InChI Key

NYOIANQHPOEJQW-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19873203

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

537.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.132

Distribution Coefficient, logD

4.132

Water Solubility, LogSw

-4.43

Polar Surface Area

78.829

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

V008-3466 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V008-3466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3466?
Check Price and Availability of V008-3466, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V008-3466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3466
  • 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 V008-3466 available by request