4627-0035 Screening compound: 6-methyl-2,2-diphenyl-1-propyl-4-(trifluoromethyl)-2,3-dihydro-1,3,2-diazaborinin-1-ium-2-uide

4627-0035 Screening compound: 6-methyl-2,2-diphenyl-1-propyl-4-(trifluoromethyl)-2,3-dihydro-1,3,2-diazaborinin-1-ium-2-uide
4627-0035 Screening compound: 6-methyl-2,2-diphenyl-1-propyl-4-(trifluoromethyl)-2,3-dihydro-1,3,2-diazaborinin-1-ium-2-uide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4627-0035
6-methyl-2,2-diphenyl-1-propyl-4-(trifluoromethyl)-2,3-dihydro-1,3,2-diazaborinin-1-ium-2-uide

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

4627-0035

Molecular Formula

C20H22BF3N2 (C20 H22 BF3 N2)

Compound Name

6-methyl-2,2-diphenyl-1-propyl-4-(trifluoromethyl)-2,3-dihydro-1,3,2-diazaborinin-1-ium-2-uide

IUPAC name

6-methyl-22-diphenyl-1-propyl-4-(trifluoromethyl)-23-dihydro-132-diazaborinin-1-ium-2-uide

SMILES

CCC[N+]1=C(C)C=C(C(F)(F)F)N[B-]1(c1ccccc1)c1ccccc1

InChI

InChI=1S/C20H22BF3N2/c1-3-14-26-16(2)15-19(20(22,23)24)25-21(26,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15,25H,3,14H2,1-2H3

InChI Key

LPFQNBJOCHYMJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.21

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.547

Distribution Coefficient, logD

5.237

Water Solubility, LogSw

-6.07

Polar Surface Area

11.455

Acid Dissociation Constant (pKa)

6.11

Base Dissociation Constant (pKb)

-9.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4627-0035 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4627-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4627-0035?
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What is the minimum amount of 4627-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4627-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4627-0035
  • 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 4627-0035 available by request