C728-0716 Screening compound: 7-acetyl-3-(3,4-dimethoxyphenyl)-1-isopentyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

C728-0716 Screening compound: 7-acetyl-3-(3,4-dimethoxyphenyl)-1-isopentyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
C728-0716 Screening compound: 7-acetyl-3-(3,4-dimethoxyphenyl)-1-isopentyl-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 C728-0716
7-acetyl-3-(3,4-dimethoxyphenyl)-1-isopentyl-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

C728-0716

Molecular Formula

C24H29N3O5S (C24 H29 N3 O5 S)

Compound Name

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

IUPAC name

11-acetyl-4-(34-dimethoxyphenyl)-6-(3-methylbutyl)-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

CC(C)CCN(c(sc(C1)c2CCN1C(C)=O)c2C(N1c(cc2)cc(OC)c2OC)=O)C1=O

InChI

InChI=1S/C24H29N3O5S/c1-14(2)8-11-26-23-21(17-9-10-25(15(3)28)13-20(17)33-23)22(29)27(24(26)30)16-6-7-18(31-4)19(12-16)32-5/h6-7,12,14H,8-11,13H2,1-5H3

InChI Key

ILRIXNOKBLIEOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.176

Distribution Coefficient, logD

3.176

Water Solubility, LogSw

-3.46

Polar Surface Area

63.667

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

C728-0716 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 C728-0716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C728-0716?
Check Price and Availability of C728-0716, 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 C728-0716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C728-0716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C728-0716
  • 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 C728-0716 available by request