V022-4219 Screening compound: propan-2-yl 2-({benzyl[3-(tert-butoxy)-2-hydroxypropyl]amino}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

V022-4219 Screening compound: propan-2-yl 2-({benzyl[3-(tert-butoxy)-2-hydroxypropyl]amino}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
V022-4219 Screening compound: propan-2-yl 2-({benzyl[3-(tert-butoxy)-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 V022-4219
propan-2-yl 2-({benzyl[3-(tert-butoxy)-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

V022-4219

Molecular Formula

C26H35N3O5S (C26 H35 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)OC(c1c(C)c(C(NC(CN(CC(COC(C)(C)C)O)Cc2ccccc2)=N2)=O)c2s1)=O

InChI

InChI=1S/C26H35N3O5S/c1-16(2)34-25(32)22-17(3)21-23(31)27-20(28-24(21)35-22)14-29(12-18-10-8-7-9-11-18)13-19(30)15-33-26(4,5)6/h7-11,16,19,30H,12-15H2,1-6H3,(H,27,28,31)/t19-/m0/s1

InChI Key

ZVAKHARHIBQVSN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19873509

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

501.65

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

4.096

Distribution Coefficient, logD

4.092

Water Solubility, LogSw

-4.30

Polar Surface Area

82.551

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V022-4219 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V022-4219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-4219?
Check Price and Availability of V022-4219, 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 V022-4219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-4219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-4219
  • 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 V022-4219 available by request