V014-8595 Screening compound: 1-(4-ethylbenzoyl)-4-[6-methyl-2-phenyl-5-(propan-2-yl)pyrimidin-4-yl]-1,4-diazepane

V014-8595 Screening compound: 1-(4-ethylbenzoyl)-4-[6-methyl-2-phenyl-5-(propan-2-yl)pyrimidin-4-yl]-1,4-diazepane
V014-8595 Screening compound: 1-(4-ethylbenzoyl)-4-[6-methyl-2-phenyl-5-(propan-2-yl)pyrimidin-4-yl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-8595
1-(4-ethylbenzoyl)-4-[6-methyl-2-phenyl-5-(propan-2-yl)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

V014-8595

Molecular Formula

C28H34N4O (C28 H34 N4 O)

Compound Name

1-(4-ethylbenzoyl)-4-[6-methyl-2-phenyl-5-(propan-2-yl)pyrimidin-4-yl]-1,4-diazepane

IUPAC name

1-(4-ethylbenzoyl)-4-[6-methyl-2-phenyl-5-(propan-2-yl)pyrimidin-4-yl]-14-diazepane

SMILES

CCc(cc1)ccc1C(N(CCC1)CCN1c1nc(-c2ccccc2)nc(C)c1C(C)C)=O

InChI

InChI=1S/C28H34N4O/c1-5-22-12-14-24(15-13-22)28(33)32-17-9-16-31(18-19-32)27-25(20(2)3)21(4)29-26(30-27)23-10-7-6-8-11-23/h6-8,10-15,20H,5,9,16-19H2,1-4H3

InChI Key

ZKLFURDMZQGPIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19743415

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

442.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.760

Distribution Coefficient, logD

6.666

Water Solubility, LogSw

-5.72

Polar Surface Area

39.288

Acid Dissociation Constant (pKa)

17.99

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V014-8595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-8595?
Check Price and Availability of V014-8595, 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 V014-8595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-8595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-8595
  • 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 V014-8595 available by request