5989-3709 Screening compound: 2-{5-[1-(methylamino)cyclopentyl]-1H-1,2,3,4-tetraazol-1-yl}ethyl N-(4-chlorophenyl)carbamate

5989-3709 Screening compound: 2-{5-[1-(methylamino)cyclopentyl]-1H-1,2,3,4-tetraazol-1-yl}ethyl N-(4-chlorophenyl)carbamate
5989-3709 Screening compound: 2-{5-[1-(methylamino)cyclopentyl]-1H-1,2,3,4-tetraazol-1-yl}ethyl N-(4-chlorophenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-3709
2-{5-[1-(methylamino)cyclopentyl]-1H-1,2,3,4-tetraazol-1-yl}ethyl N-(4-chlorophenyl)carbamate

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

5989-3709

Molecular Formula

C16H21ClN6O2 (C16 H21 ClN6 O2)

Compound Name

2-{5-[1-(methylamino)cyclopentyl]-1H-1,2,3,4-tetraazol-1-yl}ethyl N-(4-chlorophenyl)carbamate

IUPAC name

2-{5-[1-(methylamino)cyclopentyl]-1H-1234-tetrazol-1-yl}ethyl N-(4-chlorophenyl)carbamate

SMILES

CNC1(CCCC1)c1nnnn1CCOC(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C16H21ClN6O2/c1-18-16(8-2-3-9-16)14-20-21-22-23(14)10-11-25-15(24)19-13-6-4-12(17)5-7-13/h4-7,18H,2-3,8-11H2,1H3,(H,19,24)

InChI Key

VXWITXKPRZRGBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00381836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.624

Distribution Coefficient, logD

2.462

Water Solubility, LogSw

-3.50

Polar Surface Area

82.996

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

5989-3709 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5989-3709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-3709?
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What is the minimum amount of 5989-3709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-3709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-3709
  • 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 5989-3709 available by request