V030-2122 Screening compound: N-butyl-2-chloro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide

V030-2122 Screening compound: N-butyl-2-chloro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
V030-2122 Screening compound: N-butyl-2-chloro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-2122
N-butyl-2-chloro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}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

V030-2122

Molecular Formula

C21H21ClN4O4 (C21 H21 ClN4 O4)

Compound Name

N-butyl-2-chloro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide

IUPAC name

N-butyl-2-chloro-N-{2-[3-(4-nitrophenyl)-124-oxadiazol-5-yl]ethyl}benzamide

SMILES

CCCCN(CCc1nc(-c(cc2)ccc2[N+]([O-])=O)no1)C(c(cccc1)c1Cl)=O

InChI

InChI=1S/C21H21ClN4O4/c1-2-3-13-25(21(27)17-6-4-5-7-18(17)22)14-12-19-23-20(24-30-19)15-8-10-16(11-9-15)26(28)29/h4-11H,2-3,12-14H2,1H3

InChI Key

RVQBGDXJSYVURB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19786060

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

428.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.079

Distribution Coefficient, logD

5.079

Water Solubility, LogSw

-5.20

Polar Surface Area

81.131

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with V030-2122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-2122?
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What is the minimum amount of V030-2122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-2122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-2122
  • 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 V030-2122 available by request