D718-1097 Screening compound: 1-[2-({2-METHYL-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-YL}SULFANYL)ACETYL]PIPERIDINE-4-CARBOXAMIDE

D718-1097 Screening compound: 1-[2-({2-METHYL-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-YL}SULFANYL)ACETYL]PIPERIDINE-4-CARBOXAMIDE
D718-1097 Screening compound: 1-[2-({2-METHYL-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-YL}SULFANYL)ACETYL]PIPERIDINE-4-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1097
1-[2-({2-METHYL-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-YL}SULFANYL)ACETYL]PIPERIDINE-4-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

D718-1097

Molecular Formula

C18H20N6O2S (C18 H20 N6 O2 S)

Compound Name

1-[2-({2-METHYL-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-YL}SULFANYL)ACETYL]PIPERIDINE-4-CARBOXAMIDE

IUPAC name

1-[2-({2-methyl-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)acetyl]piperidine-4-carboxamide

SMILES

Cc1nn2c(SCC(N(CC3)CCC3C(N)=O)=O)nc(cccc3)c3c2n1

InChI

InChI=1S/C18H20N6O2S/c1-11-20-17-13-4-2-3-5-14(13)21-18(24(17)22-11)27-10-15(25)23-8-6-12(7-9-23)16(19)26/h2-5,12H,6-10H2,1H3,(H2,19,26)

InChI Key

DFQABNAOPTZDQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08719535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.855

Distribution Coefficient, logD

0.839

Water Solubility, LogSw

-1.86

Polar Surface Area

80.133

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

D718-1097 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D718-1097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1097?
Check Price and Availability of D718-1097, 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 D718-1097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1097
  • 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 D718-1097 available by request