V004-9218 Screening compound: 1-(4-tert-butylbenzoyl)-4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepane

V004-9218 Screening compound: 1-(4-tert-butylbenzoyl)-4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepane
V004-9218 Screening compound: 1-(4-tert-butylbenzoyl)-4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9218
1-(4-tert-butylbenzoyl)-4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-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

V004-9218

Molecular Formula

C31H34F3N5O2 (C31 H34 F3 N5 O2)

Compound Name

1-(4-tert-butylbenzoyl)-4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepane

IUPAC name

1-(4-tert-butylbenzoyl)-4-{6-propyl-3-[3-(trifluoromethyl)phenyl]-[12]oxazolo[54-d]pyrimidin-4-yl}-14-diazepane

SMILES

CCCc1nc(N(CCC2)CCN2C(c2ccc(C(C)(C)C)cc2)=O)c(c(-c2cccc(C(F)(F)F)c2)no2)c2n1

InChI

InChI=1S/C31H34F3N5O2/c1-5-8-24-35-27(25-26(37-41-28(25)36-24)21-9-6-10-23(19-21)31(32,33)34)38-15-7-16-39(18-17-38)29(40)20-11-13-22(14-12-20)30(2,3)4/h6,9-14,19H,5,7-8,15-18H2,1-4H3

InChI Key

MHHGKZWNLUQPAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19937806

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

565.64

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

7.730

Distribution Coefficient, logD

7.729

Water Solubility, LogSw

-6.10

Polar Surface Area

62.074

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

References: we are preparing a list of scientific research reports with V004-9218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9218?
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What is the minimum amount of V004-9218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9218
  • 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 V004-9218 available by request