C172-0017 Screening compound: 6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}hexanamide

C172-0017 Screening compound: 6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}hexanamide
C172-0017 Screening compound: 6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C172-0017
6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}hexanamide

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

C172-0017

Molecular Formula

C26H35N5O4S (C26 H35 N5 O4 S)

Compound Name

6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}hexanamide

IUPAC name

6-{24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}hexanamide

SMILES

COc(cc1)ccc1N1CCN(CCCNC(CCCCCN(C(c(scc2)c2N2)=O)C2=O)=O)CC1

InChI

InChI=1S/C26H35N5O4S/c1-35-21-9-7-20(8-10-21)30-17-15-29(16-18-30)13-5-12-27-23(32)6-3-2-4-14-31-25(33)24-22(11-19-36-24)28-26(31)34/h7-11,19H,2-6,12-18H2,1H3,(H,27,32)(H,28,34)

InChI Key

GVYDMLBZZAWLFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04444949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.545

Distribution Coefficient, logD

1.959

Water Solubility, LogSw

-2.89

Polar Surface Area

80.577

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C172-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0017?
Check Price and Availability of C172-0017, 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 C172-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0017
  • 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 C172-0017 available by request