V002-4804 Screening compound: 3-cyclohexyl-7-[2-(4-methylphenoxy)acetyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

V002-4804 Screening compound: 3-cyclohexyl-7-[2-(4-methylphenoxy)acetyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
V002-4804 Screening compound: 3-cyclohexyl-7-[2-(4-methylphenoxy)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 V002-4804
3-cyclohexyl-7-[2-(4-methylphenoxy)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

V002-4804

Molecular Formula

C24H27N3O4S (C24 H27 N3 O4 S)

Compound Name

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

IUPAC name

4-cyclohexyl-11-[2-(4-methylphenoxy)acetyl]-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

Cc(cc1)ccc1OCC(N(CC1)Cc2c1c(C(N(C1CCCCC1)C(N1)=O)=O)c1s2)=O

InChI

InChI=1S/C24H27N3O4S/c1-15-7-9-17(10-8-15)31-14-20(28)26-12-11-18-19(13-26)32-22-21(18)23(29)27(24(30)25-22)16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3,(H,25,30)

InChI Key

GATNPWVOPUEBRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19952577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.56

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

3.971

Distribution Coefficient, logD

3.853

Water Solubility, LogSw

-4.13

Polar Surface Area

62.886

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

V002-4804 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 V002-4804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4804?
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What is the minimum amount of V002-4804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4804
  • 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 V002-4804 available by request