G721-0221 Screening compound: N-(1,3-benzothiazol-2-yl)-2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)acetamide

G721-0221 Screening compound: N-(1,3-benzothiazol-2-yl)-2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)acetamide
G721-0221 Screening compound: N-(1,3-benzothiazol-2-yl)-2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G721-0221
N-(1,3-benzothiazol-2-yl)-2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)acetamide

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

G721-0221

Molecular Formula

C22H23N5O3S2 (C22 H23 N5 O3 S2)

Compound Name

N-(1,3-benzothiazol-2-yl)-2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)acetamide

IUPAC name

N-(13-benzothiazol-2-yl)-2-({6-butyl-13-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-5-yl}sulfanyl)acetamide

SMILES

CCCCc(c(SCC(Nc1nc(cccc2)c2s1)=O)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C22H23N5O3S2/c1-4-5-8-13-11-23-19-17(20(29)27(3)22(30)26(19)2)18(13)31-12-16(28)25-21-24-14-9-6-7-10-15(14)32-21/h6-7,9-11H,4-5,8,12H2,1-3H3,(H,24,25,28)

InChI Key

JDCVEQQKSNSXFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08326402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.753

Distribution Coefficient, logD

4.753

Water Solubility, LogSw

-4.57

Polar Surface Area

74.401

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G721-0221 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G721-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G721-0221?
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What is the minimum amount of G721-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0221
  • 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 G721-0221 available by request