8018-9585 Screening compound: (1E)-N1-{[4-(propan-2-yloxy)-3-[(pyrrolidin-1-yl)methyl]phenyl]methylidene}-1H-1,2,3,4-tetrazole-1,5-diamine

8018-9585 Screening compound: (1E)-N1-{[4-(propan-2-yloxy)-3-[(pyrrolidin-1-yl)methyl]phenyl]methylidene}-1H-1,2,3,4-tetrazole-1,5-diamine
8018-9585 Screening compound: (1E)-N1-{[4-(propan-2-yloxy)-3-[(pyrrolidin-1-yl)methyl]phenyl]methylidene}-1H-1,2,3,4-tetrazole-1,5-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9585
(1E)-N1-{[4-(propan-2-yloxy)-3-[(pyrrolidin-1-yl)methyl]phenyl]methylidene}-1H-1,2,3,4-tetrazole-1,5-diamine

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

8018-9585

Molecular Formula

C16H23N7O (C16 H23 N7 O)

Compound Name

(1E)-N1-{[4-(propan-2-yloxy)-3-[(pyrrolidin-1-yl)methyl]phenyl]methylidene}-1H-1,2,3,4-tetrazole-1,5-diamine

IUPAC name

(1E)-N1-{[4-(propan-2-yloxy)-3-[(pyrrolidin-1-yl)methyl]phenyl]methylidene}-1H-1234-tetrazole-15-diamine

SMILES

CC(C)Oc1c(CN2CCCC2)cc(/C=N/n2nnnc2N)cc1

InChI

InChI=1S/C16H23N7O/c1-12(2)24-15-6-5-13(10-18-23-16(17)19-20-21-23)9-14(15)11-22-7-3-4-8-22/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H2,17,19,21)

InChI Key

PYITVEMMFOQZJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.382

Distribution Coefficient, logD

-1.463

Water Solubility, LogSw

-2.03

Polar Surface Area

80.787

Acid Dissociation Constant (pKa)

18.52

Base Dissociation Constant (pKb)

10.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8018-9585 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-9585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9585?
Check Price and Availability of 8018-9585, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8018-9585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9585
  • 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 8018-9585 available by request