V018-8011 Screening compound: 1-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)butan-1-one

V018-8011 Screening compound: 1-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)butan-1-one
V018-8011 Screening compound: 1-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-8011
1-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)butan-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

V018-8011

Molecular Formula

C24H28F3N5O2 (C24 H28 F3 N5 O2)

Compound Name

1-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)butan-1-one

IUPAC name

1-(4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[12]oxazolo[54-d]pyrimidin-4-yl}-14-diazepan-1-yl)butan-1-one

SMILES

CCCC(N(CCC1)CCN1c1c(c(-c2cccc(C(F)(F)F)c2)no2)c2nc(CCC)n1)=O

InChI

InChI=1S/C24H28F3N5O2/c1-3-7-18-28-22(32-12-6-11-31(13-14-32)19(33)8-4-2)20-21(30-34-23(20)29-18)16-9-5-10-17(15-16)24(25,26)27/h5,9-10,15H,3-4,6-8,11-14H2,1-2H3

InChI Key

SLXUQGOXCFXDLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19937787

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

475.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.647

Distribution Coefficient, logD

5.647

Water Solubility, LogSw

-5.80

Polar Surface Area

61.818

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V018-8011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-8011?
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What is the minimum amount of V018-8011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-8011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-8011
  • 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 V018-8011 available by request