V003-4288 Screening compound: 2-({[3-(benzyloxy)-2-hydroxypropyl](3-methoxypropyl)amino}methyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

V003-4288 Screening compound: 2-({[3-(benzyloxy)-2-hydroxypropyl](3-methoxypropyl)amino}methyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
V003-4288 Screening compound: 2-({[3-(benzyloxy)-2-hydroxypropyl](3-methoxypropyl)amino}methyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4288
2-({[3-(benzyloxy)-2-hydroxypropyl](3-methoxypropyl)amino}methyl)-5-(4-methylphenyl)-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

V003-4288

Molecular Formula

C28H33N3O4S (C28 H33 N3 O4 S)

Compound Name

2-({[3-(benzyloxy)-2-hydroxypropyl](3-methoxypropyl)amino}methyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

2-({[3-(benzyloxy)-2-hydroxypropyl](3-methoxypropyl)amino}methyl)-5-(4-methylphenyl)-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

Cc(cc1)ccc1-c1csc(N=C(CN(CCCOC)CC(COCc2ccccc2)O)N2)c1C2=O

InChI

InChI=1S/C28H33N3O4S/c1-20-9-11-22(12-10-20)24-19-36-28-26(24)27(33)29-25(30-28)16-31(13-6-14-34-2)15-23(32)18-35-17-21-7-4-3-5-8-21/h3-5,7-12,19,23,32H,6,13-18H2,1-2H3,(H,29,30,33)/t23-/m0/s1

InChI Key

UPIBZPDQEOYCAX-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19873157

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

507.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.113

Distribution Coefficient, logD

4.113

Water Solubility, LogSw

-4.35

Polar Surface Area

71.889

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

V003-4288 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V003-4288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4288?
Check Price and Availability of V003-4288, 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 V003-4288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4288
  • 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 V003-4288 available by request