8017-7774 Screening compound: N~5~-(1-adamantylmethyl)-3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

8017-7774 Screening compound: N~5~-(1-adamantylmethyl)-3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
8017-7774 Screening compound: N~5~-(1-adamantylmethyl)-3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7774
N~5~-(1-adamantylmethyl)-3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-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

8017-7774

Molecular Formula

C18H22BrN5O2 (C18 H22 BrN5 O2)

Compound Name

N~5~-(1-adamantylmethyl)-3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

N-[(adamantan-1-yl)methyl]-3-[(4-bromo-1H-pyrazol-1-yl)methyl]-124-oxadiazole-5-carboxamide

SMILES

O=C(c1nc(Cn2ncc(Br)c2)no1)NCC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C18H22BrN5O2/c19-14-7-21-24(8-14)9-15-22-17(26-23-15)16(25)20-10-18-4-11-1-12(5-18)3-13(2-11)6-18/h7-8,11-13H,1-6,9-10H2,(H,20,25)

InChI Key

YDNFAQLGSDAQIE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.557

Distribution Coefficient, logD

3.557

Water Solubility, LogSw

-3.61

Polar Surface Area

72.130

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

References: we are preparing a list of scientific research reports with 8017-7774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7774?
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What is the minimum amount of 8017-7774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7774
  • 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 8017-7774 available by request