V021-6181 Screening compound: 1-{4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one

V021-6181 Screening compound: 1-{4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one
V021-6181 Screening compound: 1-{4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6181
1-{4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one

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

V021-6181

Molecular Formula

C29H28N6O (C29 H28 N6 O)

Compound Name

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

IUPAC name

1-{4-[3-(4-methylphenyl)-[124]triazolo[43-c]quinazolin-5-yl]-14-diazepan-1-yl}-2-phenylethan-1-one

SMILES

Cc(cc1)ccc1-c1nnc2n1c(N(CCC1)CCN1C(Cc1ccccc1)=O)nc1c2cccc1

InChI

InChI=1S/C29H28N6O/c1-21-12-14-23(15-13-21)27-31-32-28-24-10-5-6-11-25(24)30-29(35(27)28)34-17-7-16-33(18-19-34)26(36)20-22-8-3-2-4-9-22/h2-6,8-15H,7,16-20H2,1H3

InChI Key

MHUZUFDVGMUUDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19923624

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

476.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.279

Distribution Coefficient, logD

5.217

Water Solubility, LogSw

-5.40

Polar Surface Area

49.253

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with V021-6181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6181?
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What is the minimum amount of V021-6181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6181
  • 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 V021-6181 available by request