V031-0078 Screening compound: 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-[3,5-bis(trifluoromethyl)benzoyl]-1,4-diazepane

V031-0078 Screening compound: 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-[3,5-bis(trifluoromethyl)benzoyl]-1,4-diazepane
V031-0078 Screening compound: 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-[3,5-bis(trifluoromethyl)benzoyl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0078
1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-[3,5-bis(trifluoromethyl)benzoyl]-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

V031-0078

Molecular Formula

C28H28F6N4O (C28 H28 F6 N4 O)

Compound Name

1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-[3,5-bis(trifluoromethyl)benzoyl]-1,4-diazepane

IUPAC name

1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-[35-bis(trifluoromethyl)benzoyl]-14-diazepane

SMILES

CCc1c(Cc2ccccc2)c(N(CCC2)CCN2C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=O)nc(C)n1

InChI

InChI=1S/C28H28F6N4O/c1-3-24-23(14-19-8-5-4-6-9-19)25(36-18(2)35-24)37-10-7-11-38(13-12-37)26(39)20-15-21(27(29,30)31)17-22(16-20)28(32,33)34/h4-6,8-9,15-17H,3,7,10-14H2,1-2H3

InChI Key

AQYFFLIUYYWPNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19753286

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

550.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.604

Distribution Coefficient, logD

6.494

Water Solubility, LogSw

-5.70

Polar Surface Area

39.589

Acid Dissociation Constant (pKa)

21.42

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V031-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0078?
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What is the minimum amount of V031-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0078
  • 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 V031-0078 available by request