V018-3692 Screening compound: 1-{8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-4-(4-methylbenzoyl)-1,4-diazepane

V018-3692 Screening compound: 1-{8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-4-(4-methylbenzoyl)-1,4-diazepane
V018-3692 Screening compound: 1-{8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-4-(4-methylbenzoyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3692
1-{8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-4-(4-methylbenzoyl)-1,4-diazepane

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

V018-3692

Molecular Formula

C23H23ClN6O (C23 H23 ClN6 O)

Compound Name

1-{8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-4-(4-methylbenzoyl)-1,4-diazepane

IUPAC name

1-{8-chloro-3-methyl-[124]triazolo[43-c]quinazolin-5-yl}-4-(4-methylbenzoyl)-14-diazepane

SMILES

Cc1nnc2n1c(N(CCC1)CCN1C(c1ccc(C)cc1)=O)nc1c2ccc(Cl)c1

InChI

InChI=1S/C23H23ClN6O/c1-15-4-6-17(7-5-15)22(31)28-10-3-11-29(13-12-28)23-25-20-14-18(24)8-9-19(20)21-27-26-16(2)30(21)23/h4-9,14H,3,10-13H2,1-2H3

InChI Key

QOBWZEQMALHXCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19923136

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

434.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.868

Distribution Coefficient, logD

3.715

Water Solubility, LogSw

-4.30

Polar Surface Area

50.829

Acid Dissociation Constant (pKa)

21.02

Base Dissociation Constant (pKb)

7.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

V018-3692 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V018-3692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3692?
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What is the minimum amount of V018-3692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3692
  • 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 V018-3692 available by request