0584-0365 Screening compound: 3,5-di-tert-butyl-N-{2-[(naphthalen-2-yl)(phenyl)carbamoyl]phenyl}benzamide

0584-0365 Screening compound: 3,5-di-tert-butyl-N-{2-[(naphthalen-2-yl)(phenyl)carbamoyl]phenyl}benzamide
0584-0365 Screening compound: 3,5-di-tert-butyl-N-{2-[(naphthalen-2-yl)(phenyl)carbamoyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0584-0365
3,5-di-tert-butyl-N-{2-[(naphthalen-2-yl)(phenyl)carbamoyl]phenyl}benzamide

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

0584-0365

Molecular Formula

C38H38N2O2 (C38 H38 N2 O2)

Compound Name

3,5-di-tert-butyl-N-{2-[(naphthalen-2-yl)(phenyl)carbamoyl]phenyl}benzamide

IUPAC name

35-di-tert-butyl-N-{2-[(naphthalen-2-yl)(phenyl)carbamoyl]phenyl}benzamide

SMILES

CC(C)(C)c1cc(C(Nc(cccc2)c2C(N(c2ccccc2)c2cc3ccccc3cc2)=O)=O)cc(C(C)(C)C)c1

InChI

InChI=1S/C38H38N2O2/c1-37(2,3)29-22-28(23-30(25-29)38(4,5)6)35(41)39-34-19-13-12-18-33(34)36(42)40(31-16-8-7-9-17-31)32-21-20-26-14-10-11-15-27(26)24-32/h7-25H,1-6H3,(H,39,41)

InChI Key

CIXXQIASNMCMHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00495776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.73

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

9.941

Distribution Coefficient, logD

9.936

Water Solubility, LogSw

-6.54

Polar Surface Area

37.231

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

0584-0365 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0584-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0584-0365?
Check Price and Availability of 0584-0365, 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 0584-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0584-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0584-0365
  • 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 0584-0365 available by request