V018-5715 Screening compound: 3-isopropyl-7-[2-(4-methoxy-3-methylphenyl)acetyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

V018-5715 Screening compound: 3-isopropyl-7-[2-(4-methoxy-3-methylphenyl)acetyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
V018-5715 Screening compound: 3-isopropyl-7-[2-(4-methoxy-3-methylphenyl)acetyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5715
3-isopropyl-7-[2-(4-methoxy-3-methylphenyl)acetyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

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

V018-5715

Molecular Formula

C22H25N3O4S (C22 H25 N3 O4 S)

Compound Name

3-isopropyl-7-[2-(4-methoxy-3-methylphenyl)acetyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

11-[2-(4-methoxy-3-methylphenyl)acetyl]-4-(propan-2-yl)-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

CC(C)N(C(c1c(N2)sc(C3)c1CCN3C(Cc(cc1)cc(C)c1OC)=O)=O)C2=O

InChI

InChI=1S/C22H25N3O4S/c1-12(2)25-21(27)19-15-7-8-24(11-17(15)30-20(19)23-22(25)28)18(26)10-14-5-6-16(29-4)13(3)9-14/h5-6,9,12H,7-8,10-11H2,1-4H3,(H,23,28)

InChI Key

STHOZSONWQRJMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.609

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-4.13

Polar Surface Area

63.788

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

V018-5715 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V018-5715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5715?
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What is the minimum amount of V018-5715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5715
  • 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 V018-5715 available by request