V028-8814 Screening compound: 1-(furan-2-carbonyl)-4-[3-(methoxymethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane

V028-8814 Screening compound: 1-(furan-2-carbonyl)-4-[3-(methoxymethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane
V028-8814 Screening compound: 1-(furan-2-carbonyl)-4-[3-(methoxymethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8814
1-(furan-2-carbonyl)-4-[3-(methoxymethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-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

V028-8814

Molecular Formula

C21H22N6O3 (C21 H22 N6 O3)

Compound Name

1-(furan-2-carbonyl)-4-[3-(methoxymethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane

IUPAC name

1-(furan-2-carbonyl)-4-[3-(methoxymethyl)-[124]triazolo[43-c]quinazolin-5-yl]-14-diazepane

SMILES

COCc1nnc2n1c(N(CCC1)CCN1C(c1ccco1)=O)nc1c2cccc1

InChI

InChI=1S/C21H22N6O3/c1-29-14-18-23-24-19-15-6-2-3-7-16(15)22-21(27(18)19)26-10-5-9-25(11-12-26)20(28)17-8-4-13-30-17/h2-4,6-8,13H,5,9-12,14H2,1H3

InChI Key

NBEMAZIYFCAPAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19923812

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.764

Distribution Coefficient, logD

1.750

Water Solubility, LogSw

-1.94

Polar Surface Area

68.030

Acid Dissociation Constant (pKa)

21.10

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

V028-8814 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 V028-8814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8814?
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What is the minimum amount of V028-8814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8814
  • 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 V028-8814 available by request