V025-9307 Screening compound: N-(butan-2-yl)-2-chloro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide

V025-9307 Screening compound: N-(butan-2-yl)-2-chloro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
V025-9307 Screening compound: N-(butan-2-yl)-2-chloro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-9307
N-(butan-2-yl)-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

V025-9307

Molecular Formula

C21H21ClN4O4 (C21 H21 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H21ClN4O4/c1-3-14(2)25(21(27)17-6-4-5-7-18(17)22)13-12-19-23-20(24-30-19)15-8-10-16(11-9-15)26(28)29/h4-11,14H,3,12-13H2,1-2H3/t14-/m0/s1

InChI Key

ZROOLEVRHXKLSP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD20493376

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

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.367

Distribution Coefficient, logD

5.367

Water Solubility, LogSw

-5.75

Polar Surface Area

80.481

Acid Dissociation Constant (pKa)

26.66

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with V025-9307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-9307?
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What is the minimum amount of V025-9307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-9307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-9307
  • 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 V025-9307 available by request