V002-4779 Screening compound: 3-cyclohexyl-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

V002-4779 Screening compound: 3-cyclohexyl-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
V002-4779 Screening compound: 3-cyclohexyl-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 V002-4779
3-cyclohexyl-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

V002-4779

Molecular Formula

C25H29N3O4S (C25 H29 N3 O4 S)

Compound Name

3-cyclohexyl-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

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

SMILES

Cc(cc(CC(N(CC1)Cc2c1c(C(N(C1CCCCC1)C(N1)=O)=O)c1s2)=O)cc1)c1OC

InChI

InChI=1S/C25H29N3O4S/c1-15-12-16(8-9-19(15)32-2)13-21(29)27-11-10-18-20(14-27)33-23-22(18)24(30)28(25(31)26-23)17-6-4-3-5-7-17/h8-9,12,17H,3-7,10-11,13-14H2,1-2H3,(H,26,31)

InChI Key

AUBZVRMXZQCROQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

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

4.498

Distribution Coefficient, logD

4.380

Water Solubility, LogSw

-4.57

Polar Surface Area

63.017

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with V002-4779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4779?
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What is the minimum amount of V002-4779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4779
  • 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 V002-4779 available by request