8017-6347 Screening compound: 2-{[5-(2-chlorophenyl)-2H-1,2,3,4-tetraazol-2-yl]methyl}-4(1H)-quinazolinone

8017-6347 Screening compound: 2-{[5-(2-chlorophenyl)-2H-1,2,3,4-tetraazol-2-yl]methyl}-4(1H)-quinazolinone
8017-6347 Screening compound: 2-{[5-(2-chlorophenyl)-2H-1,2,3,4-tetraazol-2-yl]methyl}-4(1H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6347
2-{[5-(2-chlorophenyl)-2H-1,2,3,4-tetraazol-2-yl]methyl}-4(1H)-quinazolinone

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

8017-6347

Molecular Formula

C16H11ClN6O (C16 H11 ClN6 O)

Compound Name

2-{[5-(2-chlorophenyl)-2H-1,2,3,4-tetraazol-2-yl]methyl}-4(1H)-quinazolinone

IUPAC name

2-{[5-(2-chlorophenyl)-2H-1234-tetrazol-2-yl]methyl}-14-dihydroquinazolin-4-one

SMILES

O=C1N=C(Cn2nnc(-c(cccc3)c3Cl)n2)Nc2c1cccc2

InChI

InChI=1S/C16H11ClN6O/c17-12-7-3-1-5-10(12)15-20-22-23(21-15)9-14-18-13-8-4-2-6-11(13)16(24)19-14/h1-8H,9H2,(H,18,19,24)

InChI Key

IECXHMDAIWAXOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.76

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.366

Distribution Coefficient, logD

2.360

Water Solubility, LogSw

-3.47

Polar Surface Area

73.275

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

8017-6347 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-6347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6347?
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What is the minimum amount of 8017-6347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6347
  • 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 8017-6347 available by request