C315-0020 Screening compound: 9-[4-(dimethylamino)phenyl]-2-[(2-methylpropyl)sulfanyl]-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C315-0020 Screening compound: 9-[4-(dimethylamino)phenyl]-2-[(2-methylpropyl)sulfanyl]-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C315-0020 Screening compound: 9-[4-(dimethylamino)phenyl]-2-[(2-methylpropyl)sulfanyl]-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C315-0020
9-[4-(dimethylamino)phenyl]-2-[(2-methylpropyl)sulfanyl]-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

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

C315-0020

Molecular Formula

C21H27N5OS (C21 H27 N5 OS)

Compound Name

9-[4-(dimethylamino)phenyl]-2-[(2-methylpropyl)sulfanyl]-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

9-[4-(dimethylamino)phenyl]-2-[(2-methylpropyl)sulfanyl]-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CC(C)CSc1nn(C(c(cc2)ccc2N(C)C)C(C(CCC2)=O)=C2N2)c2n1

InChI

InChI=1S/C21H27N5OS/c1-13(2)12-28-21-23-20-22-16-6-5-7-17(27)18(16)19(26(20)24-21)14-8-10-15(11-9-14)25(3)4/h8-11,13,19H,5-7,12H2,1-4H3,(H,22,23,24)/t19-/m0/s1

InChI Key

LXTRODYRMJMFIH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD10486810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.422

Distribution Coefficient, logD

4.301

Water Solubility, LogSw

-4.27

Polar Surface Area

52.143

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

C315-0020 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C315-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C315-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C315-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C315-0020
  • 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 C315-0020 available by request