V013-2236 Screening compound: methyl 2-({benzyl[3-(benzyloxy)-2-hydroxypropyl]amino}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

V013-2236 Screening compound: methyl 2-({benzyl[3-(benzyloxy)-2-hydroxypropyl]amino}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
V013-2236 Screening compound: methyl 2-({benzyl[3-(benzyloxy)-2-hydroxypropyl]amino}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-2236
methyl 2-({benzyl[3-(benzyloxy)-2-hydroxypropyl]amino}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

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

V013-2236

Molecular Formula

C27H29N3O5S (C27 H29 N3 O5 S)

Compound Name

methyl 2-({benzyl[3-(benzyloxy)-2-hydroxypropyl]amino}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

methyl 2-({benzyl[3-(benzyloxy)-2-hydroxypropyl]amino}methyl)-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

Cc1c(C(OC)=O)sc(N=C(CN(CC(COCc2ccccc2)O)Cc2ccccc2)N2)c1C2=O

InChI

InChI=1S/C27H29N3O5S/c1-18-23-25(32)28-22(29-26(23)36-24(18)27(33)34-2)15-30(13-19-9-5-3-6-10-19)14-21(31)17-35-16-20-11-7-4-8-12-20/h3-12,21,31H,13-17H2,1-2H3,(H,28,29,32)/t21-/m0/s1

InChI Key

XMQDXSFMALGACY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19873545

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

507.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

3.484

Water Solubility, LogSw

-3.84

Polar Surface Area

84.742

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

V013-2236 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V013-2236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-2236?
Check Price and Availability of V013-2236, 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 V013-2236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-2236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-2236
  • 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 V013-2236 available by request