V007-0591 Screening compound: N-[2-methyl-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]dodecanamide

V007-0591 Screening compound: N-[2-methyl-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]dodecanamide
V007-0591 Screening compound: N-[2-methyl-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]dodecanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-0591
N-[2-methyl-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]dodecanamide

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

V007-0591

Molecular Formula

C26H38N2O2 (C26 H38 N2 O2)

Compound Name

N-[2-methyl-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]dodecanamide

IUPAC name

N-[2-methyl-5-(4567-tetrahydro-21-benzoxazol-3-yl)phenyl]dodecanamide

SMILES

CCCCCCCCCCCC(Nc1c(C)ccc(-c2c(CCCC3)c3no2)c1)=O

InChI

InChI=1S/C26H38N2O2/c1-3-4-5-6-7-8-9-10-11-16-25(29)27-24-19-21(18-17-20(24)2)26-22-14-12-13-15-23(22)28-30-26/h17-19H,3-16H2,1-2H3,(H,27,29)

InChI Key

SEVPQIDMGDHBQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19963687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.813

Distribution Coefficient, logD

7.813

Water Solubility, LogSw

-5.57

Polar Surface Area

45.880

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

V007-0591 in Drug Discovery

Included in Screening Libraries

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 V007-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-0591?
Check Price and Availability of V007-0591, 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 V007-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-0591
  • 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 V007-0591 available by request