Z999-0037 Screening compound: 6-methyl-N-({1-[(pyrimidin-5-yl)methyl]piperidin-4-yl}methyl)thieno[2,3-b]quinoline-2-carboxamide

Z999-0037 Screening compound: 6-methyl-N-({1-[(pyrimidin-5-yl)methyl]piperidin-4-yl}methyl)thieno[2,3-b]quinoline-2-carboxamide
Z999-0037 Screening compound: 6-methyl-N-({1-[(pyrimidin-5-yl)methyl]piperidin-4-yl}methyl)thieno[2,3-b]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Z999-0037
6-methyl-N-({1-[(pyrimidin-5-yl)methyl]piperidin-4-yl}methyl)thieno[2,3-b]quinoline-2-carboxamide

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

Z999-0037

Molecular Formula

C24H25N5OS (C24 H25 N5 OS)

Compound Name

6-methyl-N-({1-[(pyrimidin-5-yl)methyl]piperidin-4-yl}methyl)thieno[2,3-b]quinoline-2-carboxamide

IUPAC name

6-methyl-N-({1-[(pyrimidin-5-yl)methyl]piperidin-4-yl}methyl)thieno[23-b]quinoline-2-carboxamide

SMILES

Cc1ccc2nc3sc(C(NCC4CCN(Cc5cncnc5)CC4)=O)cc3cc2c1

InChI

InChI=1S/C24H25N5OS/c1-16-2-3-21-19(8-16)9-20-10-22(31-24(20)28-21)23(30)27-13-17-4-6-29(7-5-17)14-18-11-25-15-26-12-18/h2-3,8-12,15,17H,4-7,13-14H2,1H3,(H,27,30)

InChI Key

UONOMLCKVSBTJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27641320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.541

Distribution Coefficient, logD

2.594

Water Solubility, LogSw

-3.73

Polar Surface Area

58.570

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

8.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Z999-0037 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with Z999-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z999-0037?
Check Price and Availability of Z999-0037, 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 Z999-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z999-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z999-0037
  • 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 Z999-0037 available by request