V006-1166 Screening compound: N-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide

V006-1166 Screening compound: N-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
V006-1166 Screening compound: N-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-1166
N-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide

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

V006-1166

Molecular Formula

C17H12ClF7N2O2 (C17 H12 ClF7 N2 O2)

Compound Name

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

IUPAC name

N-[2-chloro-5-(4567-tetrahydro-21-benzoxazol-3-yl)phenyl]-2233444-heptafluorobutanamide

SMILES

O=C(C(C(C(F)(F)F)(F)F)(F)F)Nc(cc(cc1)-c2c(CCCC3)c3no2)c1Cl

InChI

InChI=1S/C17H12ClF7N2O2/c18-10-6-5-8(13-9-3-1-2-4-11(9)27-29-13)7-12(10)26-14(28)15(19,20)16(21,22)17(23,24)25/h5-7H,1-4H2,(H,26,28)

InChI Key

SOIMWOIZEKMTMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19963613

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

444.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.034

Distribution Coefficient, logD

6.030

Water Solubility, LogSw

-6.37

Polar Surface Area

46.093

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

References: we are preparing a list of scientific research reports with V006-1166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-1166?
Check Price and Availability of V006-1166, 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 V006-1166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-1166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-1166
  • 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 V006-1166 available by request