V024-1842 Screening compound: 1-(4-{3-cyclohexyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-1,4-diazepan-1-yl)-2-(thiophen-2-yl)ethan-1-one

V024-1842 Screening compound: 1-(4-{3-cyclohexyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-1,4-diazepan-1-yl)-2-(thiophen-2-yl)ethan-1-one
V024-1842 Screening compound: 1-(4-{3-cyclohexyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-1,4-diazepan-1-yl)-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-1842
1-(4-{3-cyclohexyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-1,4-diazepan-1-yl)-2-(thiophen-2-yl)ethan-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

V024-1842

Molecular Formula

C26H30N6OS (C26 H30 N6 OS)

Compound Name

1-(4-{3-cyclohexyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-1,4-diazepan-1-yl)-2-(thiophen-2-yl)ethan-1-one

IUPAC name

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

SMILES

O=C(Cc1cccs1)N(CCC1)CCN1c1nc(cccc2)c2c2nnc(C3CCCCC3)n12

InChI

InChI=1S/C26H30N6OS/c33-23(18-20-10-6-17-34-20)30-13-7-14-31(16-15-30)26-27-22-12-5-4-11-21(22)25-29-28-24(32(25)26)19-8-2-1-3-9-19/h4-6,10-12,17,19H,1-3,7-9,13-16,18H2

InChI Key

DUEMGXLDBCNLOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19902236

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.63

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

4.618

Distribution Coefficient, logD

4.618

Water Solubility, LogSw

-4.45

Polar Surface Area

50.463

Acid Dissociation Constant (pKa)

21.18

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

V024-1842 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V024-1842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-1842?
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What is the minimum amount of V024-1842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-1842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-1842
  • 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 V024-1842 available by request