1671-0011 Screening compound: N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-hydroxynaphthalene-2-carboxamide

1671-0011 Screening compound: N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-hydroxynaphthalene-2-carboxamide
1671-0011 Screening compound: N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-hydroxynaphthalene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1671-0011
N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-hydroxynaphthalene-2-carboxamide

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

1671-0011

Molecular Formula

C31H41NO3 (C31 H41 NO3)

Compound Name

N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-hydroxynaphthalene-2-carboxamide

IUPAC name

N-{4-[24-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-hydroxynaphthalene-2-carboxamide

SMILES

CCC(C)(C)c(cc1)cc(C(C)(C)CC)c1OCCCCNC(c(ccc1ccccc11)c1O)=O

InChI

InChI=1S/C31H41NO3/c1-7-30(3,4)23-16-18-27(26(21-23)31(5,6)8-2)35-20-12-11-19-32-29(34)25-17-15-22-13-9-10-14-24(22)28(25)33/h9-10,13-18,21,33H,7-8,11-12,19-20H2,1-6H3,(H,32,34)

InChI Key

DHEJKONKJWLHGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00128819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.434

Distribution Coefficient, logD

8.417

Water Solubility, LogSw

-6.57

Polar Surface Area

47.205

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.20

1671-0011 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 1671-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1671-0011?
Check Price and Availability of 1671-0011, 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 1671-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1671-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1671-0011
  • 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 1671-0011 available by request