8017-4998 Screening compound: 2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[3-(morpholin-4-yl)propyl]acetamide

8017-4998 Screening compound: 2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[3-(morpholin-4-yl)propyl]acetamide
8017-4998 Screening compound: 2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[3-(morpholin-4-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4998
2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[3-(morpholin-4-yl)propyl]acetamide

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

8017-4998

Molecular Formula

C16H21ClN6O2 (C16 H21 ClN6 O2)

Compound Name

2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[3-(morpholin-4-yl)propyl]acetamide

IUPAC name

2-[5-(2-chlorophenyl)-2H-1234-tetrazol-2-yl]-N-[3-(morpholin-4-yl)propyl]acetamide

SMILES

O=C(Cn1nnc(-c(cccc2)c2Cl)n1)NCCCN1CCOCC1

InChI

InChI=1S/C16H21ClN6O2/c17-14-5-2-1-4-13(14)16-19-21-23(20-16)12-15(24)18-6-3-7-22-8-10-25-11-9-22/h1-2,4-5H,3,6-12H2,(H,18,24)

InChI Key

STUYGJCMJBSFGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.665

Distribution Coefficient, logD

0.241

Water Solubility, LogSw

-2.88

Polar Surface Area

74.546

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8017-4998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4998?
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What is the minimum amount of 8017-4998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4998
  • 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 8017-4998 available by request