4218-0025 Screening compound: 11-(DIMETHYLAMINO)-13,13-DIPROPYL-1,8,10,12-TETRAAZA-13-BORATRICYCLO[7.4.0.0^(2,7)]TRIDECA-2(7),3,5,9,11-PENTAEN-12-IUM-13-UIDE

4218-0025 Screening compound: 11-(DIMETHYLAMINO)-13,13-DIPROPYL-1,8,10,12-TETRAAZA-13-BORATRICYCLO[7.4.0.0^(2,7)]TRIDECA-2(7),3,5,9,11-PENTAEN-12-IUM-13-UIDE
4218-0025 Screening compound: 11-(DIMETHYLAMINO)-13,13-DIPROPYL-1,8,10,12-TETRAAZA-13-BORATRICYCLO[7.4.0.0^(2,7)]TRIDECA-2(7),3,5,9,11-PENTAEN-12-IUM-13-UIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4218-0025
11-(DIMETHYLAMINO)-13,13-DIPROPYL-1,8,10,12-TETRAAZA-13-BORATRICYCLO[7.4.0.0^(2,7)]TRIDECA-2(7),3,5,9,11-PENTAEN-12-IUM-13-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

4218-0025

Molecular Formula

C16H25BN5 (C16 H25 BN5)

Compound Name

11-(DIMETHYLAMINO)-13,13-DIPROPYL-1,8,10,12-TETRAAZA-13-BORATRICYCLO[7.4.0.0^(2,7)]TRIDECA-2(7),3,5,9,11-PENTAEN-12-IUM-13-UIDE

IUPAC name

11-(dimethylamino)-1313-dipropyl-181012-tetraaza-13-boratricyclo[7.4.0.0^{27}]trideca-2(7)35911-pentaen-12-ium-13-uide

SMILES

CCC[B-]1(CCC)[NH+]=C(N(C)C)N=C2N1c(cccc1)c1N2

InChI

InChI=1S/C16H26BN5/c1-5-11-17(12-6-2)20-16(21(3)4)19-15-18-13-9-7-8-10-14(13)22(15)17/h7-10,20H,5-6,11-12H2,1-4H3,(H,18,19)

InChI Key

ZWUXMGOLFBVPJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01630431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.22

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.684

Distribution Coefficient, logD

-1.254

Water Solubility, LogSw

-3.97

Polar Surface Area

40.418

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

12.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 4218-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4218-0025?
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What is the minimum amount of 4218-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4218-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4218-0025
  • 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 4218-0025 available by request