6370-1400 Screening compound: N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide

6370-1400 Screening compound: N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide
6370-1400 Screening compound: N-{5-[(4-chlorophenoxy)methyl]-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 6370-1400
N-{5-[(4-chlorophenoxy)methyl]-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

6370-1400

Molecular Formula

C18H16ClN7O4S (C18 H16 ClN7 O4 S)

Compound Name

N-{5-[(4-chlorophenoxy)methyl]-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-[(4-chlorophenoxy)methyl]-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(COc(cc4)ccc4Cl)s3)=O)cn1)C2=O

InChI

InChI=1S/C18H16ClN7O4S/c1-24-15-14(16(28)25(2)18(24)29)26(9-20-15)7-12(27)21-17-23-22-13(31-17)8-30-11-5-3-10(19)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,21,23,27)

InChI Key

APJXEASAJOSDCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03930053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.89

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.028

Distribution Coefficient, logD

1.888

Water Solubility, LogSw

-2.94

Polar Surface Area

97.378

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

6370-1400 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 6370-1400 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 6370-1400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6370-1400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6370-1400
  • 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 6370-1400 available by request