V027-8862 Screening compound: N-{2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl}-4-methyl-3-(trifluoromethyl)benzamide

V027-8862 Screening compound: N-{2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl}-4-methyl-3-(trifluoromethyl)benzamide
V027-8862 Screening compound: N-{2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl}-4-methyl-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8862
N-{2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl}-4-methyl-3-(trifluoromethyl)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

V027-8862

Molecular Formula

C23H16ClF3N2O2 (C23 H16 ClF3 N2 O2)

Compound Name

N-{2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl}-4-methyl-3-(trifluoromethyl)benzamide

IUPAC name

N-{2-[(2-chlorophenyl)methyl]-13-benzoxazol-5-yl}-4-methyl-3-(trifluoromethyl)benzamide

SMILES

Cc(cc1)c(C(F)(F)F)cc1C(Nc(cc1)cc2c1oc(Cc(cccc1)c1Cl)n2)=O

InChI

InChI=1S/C23H16ClF3N2O2/c1-13-6-7-15(10-17(13)23(25,26)27)22(30)28-16-8-9-20-19(12-16)29-21(31-20)11-14-4-2-3-5-18(14)24/h2-10,12H,11H2,1H3,(H,28,30)

InChI Key

NBJOTFNNYRIFGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19791508

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

444.84

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

6.836

Distribution Coefficient, logD

6.831

Water Solubility, LogSw

-6.17

Polar Surface Area

39.806

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

V027-8862 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V027-8862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8862?
Check Price and Availability of V027-8862, 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 V027-8862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8862
  • 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 V027-8862 available by request