V011-1141 Screening compound: methyl 3-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylate

V011-1141 Screening compound: methyl 3-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylate
V011-1141 Screening compound: methyl 3-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-1141
methyl 3-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylate

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

V011-1141

Molecular Formula

C20H18ClN3O5 (C20 H18 ClN3 O5)

Compound Name

methyl 3-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylate

IUPAC name

methyl 3-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]-2-oxo-23-dihydro-13-benzoxazole-5-carboxylate

SMILES

COC(c(cc1)cc(N2C(CC3)CCN3C(c3cc(Cl)ncc3)=O)c1OC2=O)=O

InChI

InChI=1S/C20H18ClN3O5/c1-28-19(26)13-2-3-16-15(10-13)24(20(27)29-16)14-5-8-23(9-6-14)18(25)12-4-7-22-17(21)11-12/h2-4,7,10-11,14H,5-6,8-9H2,1H3

InChI Key

ICUPVTVMMYJCTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947677

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

415.83

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.414

Distribution Coefficient, logD

2.414

Water Solubility, LogSw

-3.15

Polar Surface Area

68.833

Acid Dissociation Constant (pKa)

26.26

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

V011-1141 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V011-1141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-1141?
Check Price and Availability of V011-1141, 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 V011-1141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-1141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-1141
  • 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 V011-1141 available by request