V030-2948 Screening compound: 3-cyclohexyl-7-[2-(2-methylphenyl)acetyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

V030-2948 Screening compound: 3-cyclohexyl-7-[2-(2-methylphenyl)acetyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
V030-2948 Screening compound: 3-cyclohexyl-7-[2-(2-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 V030-2948
3-cyclohexyl-7-[2-(2-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

V030-2948

Molecular Formula

C24H27N3O3S (C24 H27 N3 O3 S)

Compound Name

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

SMILES

Cc1c(CC(N(CC2)Cc3c2c(C(N(C2CCCCC2)C(N2)=O)=O)c2s3)=O)cccc1

InChI

InChI=1S/C24H27N3O3S/c1-15-7-5-6-8-16(15)13-20(28)26-12-11-18-19(14-26)31-22-21(18)23(29)27(24(30)25-22)17-9-3-2-4-10-17/h5-8,17H,2-4,9-14H2,1H3,(H,25,30)

InChI Key

MKAKOFHYEZEATF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.803

Distribution Coefficient, logD

4.685

Water Solubility, LogSw

-4.52

Polar Surface Area

55.387

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.83

V030-2948 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 V030-2948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-2948?
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What is the minimum amount of V030-2948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-2948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-2948
  • 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 V030-2948 available by request