V021-1818 Screening compound: propan-2-yl 2-{[ethyl(2-hydroxy-2-phenylethyl)amino]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

V021-1818 Screening compound: propan-2-yl 2-{[ethyl(2-hydroxy-2-phenylethyl)amino]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
V021-1818 Screening compound: propan-2-yl 2-{[ethyl(2-hydroxy-2-phenylethyl)amino]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1818
propan-2-yl 2-{[ethyl(2-hydroxy-2-phenylethyl)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

V021-1818

Molecular Formula

C22H27N3O4S (C22 H27 N3 O4 S)

Compound Name

propan-2-yl 2-{[ethyl(2-hydroxy-2-phenylethyl)amino]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

propan-2-yl 2-{[ethyl(2-hydroxy-2-phenylethyl)amino]methyl}-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCN(CC(c1ccccc1)O)CC(N1)=Nc(sc(C(OC(C)C)=O)c2C)c2C1=O

InChI

InChI=1S/C22H27N3O4S/c1-5-25(11-16(26)15-9-7-6-8-10-15)12-17-23-20(27)18-14(4)19(30-21(18)24-17)22(28)29-13(2)3/h6-10,13,16,26H,5,11-12H2,1-4H3,(H,23,24,27)/t16-/m0/s1

InChI Key

DLWJHFBSZDKDOY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19873513

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.861

Distribution Coefficient, logD

2.859

Water Solubility, LogSw

-3.19

Polar Surface Area

75.096

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

V021-1818 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V021-1818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1818?
Check Price and Availability of V021-1818, 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 V021-1818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1818
  • 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 V021-1818 available by request