V030-9006 Screening compound: N-{2-chloro-5-[5-(ethylsulfonyl)-1,3-benzoxazol-2-yl]phenyl}-1-cyclobutanecarboxamide

V030-9006 Screening compound: N-{2-chloro-5-[5-(ethylsulfonyl)-1,3-benzoxazol-2-yl]phenyl}-1-cyclobutanecarboxamide
V030-9006 Screening compound: N-{2-chloro-5-[5-(ethylsulfonyl)-1,3-benzoxazol-2-yl]phenyl}-1-cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9006
N-{2-chloro-5-[5-(ethylsulfonyl)-1,3-benzoxazol-2-yl]phenyl}-1-cyclobutanecarboxamide

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

V030-9006

Molecular Formula

C20H19ClN2O4S (C20 H19 ClN2 O4 S)

Compound Name

N-{2-chloro-5-[5-(ethylsulfonyl)-1,3-benzoxazol-2-yl]phenyl}-1-cyclobutanecarboxamide

IUPAC name

N-{2-chloro-5-[5-(ethanesulfonyl)-13-benzoxazol-2-yl]phenyl}cyclobutanecarboxamide

SMILES

CCS(c(cc1)cc2c1oc(-c(cc1)cc(NC(C3CCC3)=O)c1Cl)n2)(=O)=O

InChI

InChI=1S/C20H19ClN2O4S/c1-2-28(25,26)14-7-9-18-17(11-14)23-20(27-18)13-6-8-15(21)16(10-13)22-19(24)12-4-3-5-12/h6-12H,2-5H2,1H3,(H,22,24)

InChI Key

OWKILTRLTAEDRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19792643

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

418.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.941

Distribution Coefficient, logD

2.941

Water Solubility, LogSw

-3.66

Polar Surface Area

69.002

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

V030-9006 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V030-9006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9006?
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What is the minimum amount of V030-9006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9006
  • 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 V030-9006 available by request