V027-7934 Screening compound: 4-bromo-N-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-1-ethyl-3-methyl-1H-pyrazole-5-carboxamide

V027-7934 Screening compound: 4-bromo-N-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-1-ethyl-3-methyl-1H-pyrazole-5-carboxamide
V027-7934 Screening compound: 4-bromo-N-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-1-ethyl-3-methyl-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-7934
4-bromo-N-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-1-ethyl-3-methyl-1H-pyrazole-5-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

V027-7934

Molecular Formula

C20H20BrClN4O2 (C20 H20 BrClN4 O2)

Compound Name

4-bromo-N-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-1-ethyl-3-methyl-1H-pyrazole-5-carboxamide

IUPAC name

4-bromo-N-[2-chloro-5-(4567-tetrahydro-21-benzoxazol-3-yl)phenyl]-1-ethyl-3-methyl-1H-pyrazole-5-carboxamide

SMILES

CCn1nc(C)c(Br)c1C(Nc(cc(cc1)-c2c(CCCC3)c3no2)c1Cl)=O

InChI

InChI=1S/C20H20BrClN4O2/c1-3-26-18(17(21)11(2)24-26)20(27)23-16-10-12(8-9-14(16)22)19-13-6-4-5-7-15(13)25-28-19/h8-10H,3-7H2,1-2H3,(H,23,27)

InChI Key

QAYKXLXBYBINEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19963749

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.920

Distribution Coefficient, logD

4.920

Water Solubility, LogSw

-5.03

Polar Surface Area

59.129

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

V027-7934 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V027-7934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-7934?
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What is the minimum amount of V027-7934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-7934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-7934
  • 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 V027-7934 available by request