C445-0159 Screening compound: N-cyclohexyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}butanamide

C445-0159 Screening compound: N-cyclohexyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}butanamide
C445-0159 Screening compound: N-cyclohexyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0159
N-cyclohexyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}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

C445-0159

Molecular Formula

C27H30N6O5S (C27 H30 N6 O5 S)

Compound Name

N-cyclohexyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}butanamide

IUPAC name

N-cyclohexyl-2-{[89-dimethoxy-2-(4-nitrophenyl)-[124]triazolo[15-c]quinazolin-5-yl]sulfanyl}butanamide

SMILES

CCC(C(NC1CCCCC1)=O)Sc1nc(cc(c(OC)c2)OC)c2c2nc(-c(cc3)ccc3[N+]([O-])=O)nn12

InChI

InChI=1S/C27H30N6O5S/c1-4-23(26(34)28-17-8-6-5-7-9-17)39-27-29-20-15-22(38-3)21(37-2)14-19(20)25-30-24(31-32(25)27)16-10-12-18(13-11-16)33(35)36/h10-15,17,23H,4-9H2,1-3H3,(H,28,34)/t23-/m0/s1

InChI Key

MGYLPVPNZDACRS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14758448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.814

Distribution Coefficient, logD

5.804

Water Solubility, LogSw

-5.50

Polar Surface Area

102.850

Acid Dissociation Constant (pKa)

15.34

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with C445-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0159?
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What is the minimum amount of C445-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0159
  • 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 C445-0159 available by request