V004-4798 Screening compound: 6-chloro-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide

V004-4798 Screening compound: 6-chloro-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
V004-4798 Screening compound: 6-chloro-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4798
6-chloro-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]pyridine-3-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

V004-4798

Molecular Formula

C21H14Cl3N3O2 (C21 H14 Cl3 N3 O2)

Compound Name

6-chloro-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide

IUPAC name

6-chloro-N-[(5-chloro-13-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide

SMILES

O=C(c(cc1)cnc1Cl)N(Cc1nc(cc(cc2)Cl)c2o1)Cc1cc(Cl)ccc1

InChI

InChI=1S/C21H14Cl3N3O2/c22-15-3-1-2-13(8-15)11-27(21(28)14-4-7-19(24)25-10-14)12-20-26-17-9-16(23)5-6-18(17)29-20/h1-10H,11-12H2

InChI Key

LRAYSIDVKQOZAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961934

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

446.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.975

Distribution Coefficient, logD

4.975

Water Solubility, LogSw

-5.23

Polar Surface Area

41.930

Acid Dissociation Constant (pKa)

26.29

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

V004-4798 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V004-4798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4798?
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What is the minimum amount of V004-4798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4798
  • 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 V004-4798 available by request