C684-0076 Screening compound: N~1~-cyclohexyl-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide

C684-0076 Screening compound: N~1~-cyclohexyl-4-(10-phenyldi[1,2,4]triazolo[4,3-a:1,5-c]quinazolin-3-yl)butanamide
C684-0076 Screening compound: N~1~-cyclohexyl-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 C684-0076
N~1~-cyclohexyl-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

C684-0076

Molecular Formula

C26H27N7O (C26 H27 N7 O)

Compound Name

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

IUPAC name

N-cyclohexyl-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)NC1CCCCC1

InChI

InChI=1S/C26H27N7O/c34-23(27-19-12-5-2-6-13-19)17-9-16-22-29-30-26-32(22)21-15-8-7-14-20(21)25-28-24(31-33(25)26)18-10-3-1-4-11-18/h1,3-4,7-8,10-11,14-15,19H,2,5-6,9,12-13,16-17H2,(H,27,34)

InChI Key

XMDXQCYFTWZOCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.847

Distribution Coefficient, logD

3.434

Water Solubility, LogSw

-4.09

Polar Surface Area

68.566

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C684-0076 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C684-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C684-0076?
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What is the minimum amount of C684-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C684-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C684-0076
  • 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 C684-0076 available by request