2798-1618 Screening compound: 6-amino-7-(1,3-benzothiazol-2-yl)-5-(2-phenylethyl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile

2798-1618 Screening compound: 6-amino-7-(1,3-benzothiazol-2-yl)-5-(2-phenylethyl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
2798-1618 Screening compound: 6-amino-7-(1,3-benzothiazol-2-yl)-5-(2-phenylethyl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2798-1618
6-amino-7-(1,3-benzothiazol-2-yl)-5-(2-phenylethyl)-5H-pyrrolo[2,3-b]pyrazine-2,3-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

2798-1618

Molecular Formula

C23H15N7S (C23 H15 N7 S)

Compound Name

6-amino-7-(1,3-benzothiazol-2-yl)-5-(2-phenylethyl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile

IUPAC name

6-amino-7-(13-benzothiazol-2-yl)-5-(2-phenylethyl)-5H-pyrrolo[23-b]pyrazine-23-dicarbonitrile

SMILES

Nc(n(CCc1ccccc1)c1nc(C#N)c(C#N)nc11)c1-c1nc(cccc2)c2s1

InChI

InChI=1S/C23H15N7S/c24-12-16-17(13-25)28-22-20(27-16)19(23-29-15-8-4-5-9-18(15)31-23)21(26)30(22)11-10-14-6-2-1-3-7-14/h1-9H,10-11,26H2

InChI Key

YWVWOCCKNDZPSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.548

Distribution Coefficient, logD

4.548

Water Solubility, LogSw

-4.74

Polar Surface Area

85.609

Acid Dissociation Constant (pKa)

19.45

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

2798-1618 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2798-1618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2798-1618?
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What is the minimum amount of 2798-1618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2798-1618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2798-1618
  • 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 2798-1618 available by request