G821-0651 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-{5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl}piperidine-4-carboxamide

G821-0651 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-{5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl}piperidine-4-carboxamide
G821-0651 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-{5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G821-0651
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-{5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl}piperidine-4-carboxamide

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

G821-0651

Molecular Formula

C23H23N5O4S2 (C23 H23 N5 O4 S2)

Compound Name

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-{5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl}piperidine-4-carboxamide

IUPAC name

N-(6-ethoxy-13-benzothiazol-2-yl)-1-{5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carbonyl}piperidine-4-carboxamide

SMILES

CCOc(cc1)cc2c1nc(NC(C(CC1)CCN1C(c1c(C)c(C(NC=N3)=O)c3s1)=O)=O)s2

InChI

InChI=1S/C23H23N5O4S2/c1-3-32-14-4-5-15-16(10-14)33-23(26-15)27-19(29)13-6-8-28(9-7-13)22(31)18-12(2)17-20(30)24-11-25-21(17)34-18/h4-5,10-11,13H,3,6-9H2,1-2H3,(H,24,25,30)(H,26,27,29)

InChI Key

RSKKVNVSKMRTRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.696

Distribution Coefficient, logD

2.693

Water Solubility, LogSw

-3.17

Polar Surface Area

92.461

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G821-0651 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G821-0651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G821-0651?
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What is the minimum amount of G821-0651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G821-0651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G821-0651
  • 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 G821-0651 available by request