8018-4511 Screening compound: 2-bromo-4,4-dicyano-5,5-diethyl-6-methoxy-5,6-dihydro-3(1H)-pyridinyl cyanide

8018-4511 Screening compound: 2-bromo-4,4-dicyano-5,5-diethyl-6-methoxy-5,6-dihydro-3(1H)-pyridinyl cyanide
8018-4511 Screening compound: 2-bromo-4,4-dicyano-5,5-diethyl-6-methoxy-5,6-dihydro-3(1H)-pyridinyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4511
2-bromo-4,4-dicyano-5,5-diethyl-6-methoxy-5,6-dihydro-3(1H)-pyridinyl cyanide

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

8018-4511

Molecular Formula

C13H15BrN4O (C13 H15 BrN4 O)

Compound Name

2-bromo-4,4-dicyano-5,5-diethyl-6-methoxy-5,6-dihydro-3(1H)-pyridinyl cyanide

IUPAC name

n/a

SMILES

CCC(CC)(C(NC(Br)=C1C#N)OC)C1(C#N)C#N

InChI

InChI=1S/C13H15BrN4O/c1-4-12(5-2)11(19-3)18-10(14)9(6-15)13(12,7-16)8-17/h11,18H,4-5H2,1-3H3/t11-/m0/s1

InChI Key

GLBKASGTJINECH-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.121

Distribution Coefficient, logD

2.121

Water Solubility, LogSw

-2.07

Polar Surface Area

70.785

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.50

References: we are preparing a list of scientific research reports with 8018-4511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4511?
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What is the minimum amount of 8018-4511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4511
  • 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 8018-4511 available by request