C796-1347 Screening compound: N-cycloheptyl-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-4-carboxamide

C796-1347 Screening compound: N-cycloheptyl-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-4-carboxamide
C796-1347 Screening compound: N-cycloheptyl-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-1347
N-cycloheptyl-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}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

C796-1347

Molecular Formula

C22H31N5O2S (C22 H31 N5 O2 S)

Compound Name

N-cycloheptyl-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-4-carboxamide

IUPAC name

N-cycloheptyl-1-{5-oxo-5H6H7H8H9H-[134]thiadiazolo[23-b]quinazolin-2-yl}piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1C(SC1=NC2=C3CCCC2)=NN1C3=O)NC1CCCCCC1

InChI

InChI=1S/C22H31N5O2S/c28-19(23-16-7-3-1-2-4-8-16)15-11-13-26(14-12-15)22-25-27-20(29)17-9-5-6-10-18(17)24-21(27)30-22/h15-16H,1-14H2,(H,23,28)

InChI Key

YWKKMKQEBBTXIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.380

Distribution Coefficient, logD

3.379

Water Solubility, LogSw

-3.44

Polar Surface Area

65.278

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.70

C796-1347 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C796-1347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-1347?
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What is the minimum amount of C796-1347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-1347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-1347
  • 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 C796-1347 available by request