C684-0091 Screening compound: N~1~-(3-morpholinopropyl)-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide

C684-0091 Screening compound: N~1~-(3-morpholinopropyl)-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide
C684-0091 Screening compound: N~1~-(3-morpholinopropyl)-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C684-0091
N~1~-(3-morpholinopropyl)-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide

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

C684-0091

Molecular Formula

C27H30N8O2 (C27 H30 N8 O2)

Compound Name

N~1~-(3-morpholinopropyl)-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide

IUPAC name

N-[3-(morpholin-4-yl)propyl]-4-{9-phenyl-2457810-hexaazatetracyclo[10.4.0.0^{26}.0^{711}]hexadeca-1(16)358101214-heptaen-3-yl}butanamide

SMILES

O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c(cccc3)c3n12)NCCCN1CCOCC1

InChI

InChI=1S/C27H30N8O2/c36-24(28-14-7-15-33-16-18-37-19-17-33)13-6-12-23-30-31-27-34(23)22-11-5-4-10-21(22)26-29-25(32-35(26)27)20-8-2-1-3-9-20/h1-5,8-11H,6-7,12-19H2,(H,28,36)

InChI Key

MKNJROFDJGWCIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.539

Distribution Coefficient, logD

1.116

Water Solubility, LogSw

-2.10

Polar Surface Area

80.573

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with C684-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C684-0091?
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What is the minimum amount of C684-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C684-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C684-0091
  • 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 C684-0091 available by request