8018-2828 Screening compound: (1R,3S)-2,2-dicyano-3-(4-methoxyphenyl)cyclopropanecarboxamide

8018-2828 Screening compound: (1R,3S)-2,2-dicyano-3-(4-methoxyphenyl)cyclopropanecarboxamide
8018-2828 Screening compound: (1R,3S)-2,2-dicyano-3-(4-methoxyphenyl)cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2828
(1R,3S)-2,2-dicyano-3-(4-methoxyphenyl)cyclopropanecarboxamide

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

8018-2828

Molecular Formula

C13H11N3O2 (C13 H11 N3 O2)

Compound Name

(1R,3S)-2,2-dicyano-3-(4-methoxyphenyl)cyclopropanecarboxamide

IUPAC name

(1R3S)-22-dicyano-3-(4-methoxyphenyl)cyclopropane-1-carboxamide

SMILES

COc1ccc([C@@H]([C@@H]2C(N)=O)C2(C#N)C#N)cc1

InChI

InChI=1S/C13H11N3O2/c1-18-9-4-2-8(3-5-9)10-11(12(16)17)13(10,6-14)7-15/h2-5,10-11H,1H3,(H2,16,17)/t10-,11-/m1/s1

InChI Key

ULDLGWLCWYEEFD-GHMZBOCLSA-N

MDL Number (MFCD)

MFCD08142163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

241.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.013

Distribution Coefficient, logD

1.013

Water Solubility, LogSw

-1.66

Polar Surface Area

76.205

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.77

References: we are preparing a list of scientific research reports with 8018-2828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2828?
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What is the minimum amount of 8018-2828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2828
  • 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 8018-2828 available by request