5628-0670 Screening compound: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide

5628-0670 Screening compound: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide
5628-0670 Screening compound: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5628-0670
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)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

5628-0670

Molecular Formula

C17H21N7O3S (C17 H21 N7 O3 S)

Compound Name

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide

IUPAC name

N-(5-cyclohexyl-134-thiadiazol-2-yl)-2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)acetamide

SMILES

CN(c1c(C(N2C)=O)n(CC(Nc3nnc(C4CCCCC4)s3)=O)cn1)C2=O

InChI

InChI=1S/C17H21N7O3S/c1-22-13-12(15(26)23(2)17(22)27)24(9-18-13)8-11(25)19-16-21-20-14(28-16)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,19,21,25)

InChI Key

QNBORYCUOZBOOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03446781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.977

Distribution Coefficient, logD

1.902

Water Solubility, LogSw

-2.50

Polar Surface Area

89.575

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

5628-0670 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5628-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5628-0670?
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What is the minimum amount of 5628-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5628-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5628-0670
  • 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 5628-0670 available by request