0242-0428 Screening compound: 6-(benzylamino)-1-{16-[6-(benzylamino)-2-bromohexanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}-2-bromohexan-1-one

0242-0428 Screening compound: 6-(benzylamino)-1-{16-[6-(benzylamino)-2-bromohexanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}-2-bromohexan-1-one
0242-0428 Screening compound: 6-(benzylamino)-1-{16-[6-(benzylamino)-2-bromohexanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}-2-bromohexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0428
6-(benzylamino)-1-{16-[6-(benzylamino)-2-bromohexanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}-2-bromohexan-1-one

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

0242-0428

Molecular Formula

C38H58Br2N4O6 (C38 H58 Br2 N4 O6)

Compound Name

6-(benzylamino)-1-{16-[6-(benzylamino)-2-bromohexanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}-2-bromohexan-1-one

IUPAC name

6-(benzylamino)-1-{16-[6-(benzylamino)-2-bromohexanoyl]-141013-tetraoxa-716-diazacyclooctadecan-7-yl}-2-bromohexan-1-one

SMILES

O=C(C(CCCCNCc1ccccc1)Br)N(CCOCCOCC1)CCOCCOCCN1C(C(CCCCNCc1ccccc1)Br)=O

InChI

InChI=1S/C38H58Br2N4O6/c39-35(15-7-9-17-41-31-33-11-3-1-4-12-33)37(45)43-19-23-47-27-29-49-25-21-44(22-26-50-30-28-48-24-20-43)38(46)36(40)16-8-10-18-42-32-34-13-5-2-6-14-34/h1-6,11-14,35-36,41-42H,7-10,15-32H2

InChI Key

GXYXKDCEJYRVOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00309087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

826.71

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.150

Distribution Coefficient, logD

1.640

Water Solubility, LogSw

-3.07

Polar Surface Area

89.066

Acid Dissociation Constant (pKa)

19.99

Base Dissociation Constant (pKb)

8.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.20

0242-0428 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 0242-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0428?
Check Price and Availability of 0242-0428, 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 0242-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0428
  • 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 0242-0428 available by request