8006-5086 Screening compound: (4R,5R)-2-amino-5-(4-bromobenzoyl)-4-(2-thienyl)-4,5-dihydro-3-thiophenecarbonitrile

8006-5086 Screening compound: (4R,5R)-2-amino-5-(4-bromobenzoyl)-4-(2-thienyl)-4,5-dihydro-3-thiophenecarbonitrile
8006-5086 Screening compound: (4R,5R)-2-amino-5-(4-bromobenzoyl)-4-(2-thienyl)-4,5-dihydro-3-thiophenecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5086
(4R,5R)-2-amino-5-(4-bromobenzoyl)-4-(2-thienyl)-4,5-dihydro-3-thiophenecarbonitrile

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

8006-5086

Molecular Formula

C16H11BrN2OS2 (C16 H11 BrN2 OS2)

Compound Name

(4R,5R)-2-amino-5-(4-bromobenzoyl)-4-(2-thienyl)-4,5-dihydro-3-thiophenecarbonitrile

IUPAC name

(2'R3'R)-5'-amino-2'-(4-bromobenzoyl)-2'3'-dihydro-[23'-bithiophene]-4'-carbonitrile

SMILES

NC(S[C@@H]([C@H]1c2cccs2)C(c(cc2)ccc2Br)=O)=C1C#N

InChI

InChI=1S/C16H11BrN2OS2/c17-10-5-3-9(4-6-10)14(20)15-13(12-2-1-7-21-12)11(8-18)16(19)22-15/h1-7,13,15H,19H2/t13-,15+/m1/s1

InChI Key

CVGKFLMZXXBOQV-HIFRSBDPSA-N

MDL Number (MFCD)

MFCD00825484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.804

Distribution Coefficient, logD

3.804

Water Solubility, LogSw

-4.36

Polar Surface Area

52.142

Acid Dissociation Constant (pKa)

16.47

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

12.50

8006-5086 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8006-5086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5086?
Check Price and Availability of 8006-5086, 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 8006-5086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5086
  • 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 8006-5086 available by request