0242-0465 Screening compound: benzyl N-{1-[16-(2-{[(benzyloxy)carbonyl]amino}butanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-1-oxobutan-2-yl}carbamate

0242-0465 Screening compound: benzyl N-{1-[16-(2-{[(benzyloxy)carbonyl]amino}butanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-1-oxobutan-2-yl}carbamate
0242-0465 Screening compound: benzyl N-{1-[16-(2-{[(benzyloxy)carbonyl]amino}butanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-1-oxobutan-2-yl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0465
benzyl N-{1-[16-(2-{[(benzyloxy)carbonyl]amino}butanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-1-oxobutan-2-yl}carbamate

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

0242-0465

Molecular Formula

C36H52N4O10 (C36 H52 N4 O10)

Compound Name

benzyl N-{1-[16-(2-{[(benzyloxy)carbonyl]amino}butanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-1-oxobutan-2-yl}carbamate

IUPAC name

benzyl N-{1-[16-(2-{[(benzyloxy)carbonyl]amino}butanoyl)-141013-tetraoxa-716-diazacyclooctadecan-7-yl]-1-oxobutan-2-yl}carbamate

SMILES

CCC(C(N(CCOCCOCC1)CCOCCOCCN1C(C(CC)NC(OCc1ccccc1)=O)=O)=O)NC(OCc1ccccc1)=O

InChI

InChI=1S/C36H52N4O10/c1-3-31(37-35(43)49-27-29-11-7-5-8-12-29)33(41)39-15-19-45-23-25-47-21-17-40(18-22-48-26-24-46-20-16-39)34(42)32(4-2)38-36(44)50-28-30-13-9-6-10-14-30/h5-14,31-32H,3-4,15-28H2,1-2H3,(H,37,43)(H,38,44)

InChI Key

GJGWZYRBNAEIEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00188461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

700.83

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

3.595

Distribution Coefficient, logD

3.595

Water Solubility, LogSw

-3.52

Polar Surface Area

130.852

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.60

0242-0465 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 0242-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0465?
Check Price and Availability of 0242-0465, 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 0242-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0465
  • 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 0242-0465 available by request