4088-0106 Screening compound: 2-amino-6-[(2-bromoethyl)sulfanyl]-4-(3-chlorophenyl)pyridine-3,5-dicarbonitrile

4088-0106 Screening compound: 2-amino-6-[(2-bromoethyl)sulfanyl]-4-(3-chlorophenyl)pyridine-3,5-dicarbonitrile
4088-0106 Screening compound: 2-amino-6-[(2-bromoethyl)sulfanyl]-4-(3-chlorophenyl)pyridine-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4088-0106
2-amino-6-[(2-bromoethyl)sulfanyl]-4-(3-chlorophenyl)pyridine-3,5-dicarbonitrile

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

4088-0106

Molecular Formula

C15H10BrClN4S (C15 H10 BrClN4 S)

Compound Name

2-amino-6-[(2-bromoethyl)sulfanyl]-4-(3-chlorophenyl)pyridine-3,5-dicarbonitrile

IUPAC name

2-amino-6-[(2-bromoethyl)sulfanyl]-4-(3-chlorophenyl)pyridine-35-dicarbonitrile

SMILES

Nc(nc(c(C#N)c1-c2cc(Cl)ccc2)SCCBr)c1C#N

InChI

InChI=1S/C15H10BrClN4S/c16-4-5-22-15-12(8-19)13(11(7-18)14(20)21-15)9-2-1-3-10(17)6-9/h1-3,6H,4-5H2,(H2,20,21)

InChI Key

DDHMPCRELPIDEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05715989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.894

Distribution Coefficient, logD

3.894

Water Solubility, LogSw

-4.76

Polar Surface Area

63.523

Acid Dissociation Constant (pKa)

16.44

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

4088-0106 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4088-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4088-0106?
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What is the minimum amount of 4088-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4088-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4088-0106
  • 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 4088-0106 available by request