V021-2054 Screening compound: (4-fluorophenyl){4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone

V021-2054 Screening compound: (4-fluorophenyl){4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
V021-2054 Screening compound: (4-fluorophenyl){4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-2054
(4-fluorophenyl){4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone

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

V021-2054

Molecular Formula

C28H25FN6O (C28 H25 FN6 O)

Compound Name

(4-fluorophenyl){4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone

IUPAC name

1-(4-fluorobenzoyl)-4-[3-(4-methylphenyl)-[124]triazolo[43-c]quinazolin-5-yl]-14-diazepane

SMILES

Cc(cc1)ccc1-c1nnc2n1c(N(CCC1)CCN1C(c(cc1)ccc1F)=O)nc1c2cccc1

InChI

InChI=1S/C28H25FN6O/c1-19-7-9-20(10-8-19)25-31-32-26-23-5-2-3-6-24(23)30-28(35(25)26)34-16-4-15-33(17-18-34)27(36)21-11-13-22(29)14-12-21/h2-3,5-14H,4,15-18H2,1H3

InChI Key

LWEQDDKHKQEMPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19923622

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

480.54

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

5.028

Distribution Coefficient, logD

4.967

Water Solubility, LogSw

-4.89

Polar Surface Area

49.780

Acid Dissociation Constant (pKa)

21.02

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

References: we are preparing a list of scientific research reports with V021-2054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-2054?
Check Price and Availability of V021-2054, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V021-2054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-2054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-2054
  • 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 V021-2054 available by request