1729-0091 Screening compound: 1-(bromomethyl)pentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2,4,6,9,11,13,15,17,19-nonaene

1729-0091 Screening compound: 1-(bromomethyl)pentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2,4,6,9,11,13,15,17,19-nonaene
1729-0091 Screening compound: 1-(bromomethyl)pentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2,4,6,9,11,13,15,17,19-nonaene alternative view

Chemical Structure Depiction of ChemDiv screening compound 1729-0091
1-(bromomethyl)pentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2,4,6,9,11,13,15,17,19-nonaene

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

1729-0091

Molecular Formula

C21H15Br (C21 H15 Br)

Compound Name

1-(bromomethyl)pentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2,4,6,9,11,13,15,17,19-nonaene

IUPAC name

1-(bromomethyl)pentacyclo[6.6.6.0^{27}.0^{914}.0^{1520}]icosa-24691113151719-nonaene

SMILES

BrCC(c1c(C23)cccc1)(c1c3cccc1)c1c2cccc1

InChI

InChI=1S/C21H15Br/c22-13-21-17-10-4-1-7-14(17)20(15-8-2-5-11-18(15)21)16-9-3-6-12-19(16)21/h1-12,20H,13H2

InChI Key

TYEXQBXNOXVGOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.25

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

n/a

Partition Coefficient, logP

5.777

Distribution Coefficient, logD

5.777

Water Solubility, LogSw

-6.27

Polar Surface Area

0.000

Acid Dissociation Constant (pKa)

23.38

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 1729-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1729-0091?
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What is the minimum amount of 1729-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1729-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1729-0091
  • 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 1729-0091 available by request