5830-0010 Screening compound: 6-amino-7-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile

5830-0010 Screening compound: 6-amino-7-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
5830-0010 Screening compound: 6-amino-7-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5830-0010
6-amino-7-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-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

5830-0010

Molecular Formula

C21H10ClN7S (C21 H10 ClN7 S)

Compound Name

6-amino-7-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile

IUPAC name

6-amino-7-(13-benzothiazol-2-yl)-5-(4-chlorophenyl)-5H-pyrrolo[23-b]pyrazine-23-dicarbonitrile

SMILES

Nc(n(c1nc(C#N)c(C#N)nc11)-c(cc2)ccc2Cl)c1-c1nc(cccc2)c2s1

InChI

InChI=1S/C21H10ClN7S/c22-11-5-7-12(8-6-11)29-19(25)17(21-28-13-3-1-2-4-16(13)30-21)18-20(29)27-15(10-24)14(9-23)26-18/h1-8H,25H2

InChI Key

GCBWQTATMSRLRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02339111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.787

Distribution Coefficient, logD

4.787

Water Solubility, LogSw

-5.29

Polar Surface Area

86.374

Acid Dissociation Constant (pKa)

19.97

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5830-0010 in Drug Discovery

Included in Screening Libraries

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

?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 5830-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5830-0010?
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What is the minimum amount of 5830-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5830-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5830-0010
  • 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 5830-0010 available by request