V028-5545 Screening compound: 1-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-(3-methylbenzoyl)-1,4-diazepane

V028-5545 Screening compound: 1-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-(3-methylbenzoyl)-1,4-diazepane
V028-5545 Screening compound: 1-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-(3-methylbenzoyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5545
1-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-(3-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

V028-5545

Molecular Formula

C28H25ClN6O (C28 H25 ClN6 O)

Compound Name

1-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-(3-methylbenzoyl)-1,4-diazepane

IUPAC name

1-[3-(2-chlorophenyl)-[124]triazolo[43-c]quinazolin-5-yl]-4-(3-methylbenzoyl)-14-diazepane

SMILES

Cc1cccc(C(N(CCC2)CCN2c2nc(cccc3)c3c3nnc(-c(cccc4)c4Cl)n23)=O)c1

InChI

InChI=1S/C28H25ClN6O/c1-19-8-6-9-20(18-19)27(36)33-14-7-15-34(17-16-33)28-30-24-13-5-3-11-22(24)26-32-31-25(35(26)28)21-10-2-4-12-23(21)29/h2-6,8-13,18H,7,14-17H2,1H3

InChI Key

SDPQPDKOPNOMKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19923673

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

497

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.094

Distribution Coefficient, logD

5.029

Water Solubility, LogSw

-5.19

Polar Surface Area

49.780

Acid Dissociation Constant (pKa)

21.02

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with V028-5545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5545?
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What is the minimum amount of V028-5545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5545
  • 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 V028-5545 available by request