7567-0156 Screening compound: ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate

7567-0156 Screening compound: ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
7567-0156 Screening compound: ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7567-0156
ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate

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

7567-0156

Molecular Formula

C18H16N6O2S3 (C18 H16 N6 O2 S3)

Compound Name

ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate

IUPAC name

ethyl 2-[(13-benzothiazol-2-yl)amino]-4-{[(5-methyl-134-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate

SMILES

CCOC(c1c(CSc2nnc(C)s2)nc(Nc2nc(cccc3)c3s2)nc1)=O

InChI

InChI=1S/C18H16N6O2S3/c1-3-26-15(25)11-8-19-16(20-13(11)9-27-18-24-23-10(2)28-18)22-17-21-12-6-4-5-7-14(12)29-17/h4-8H,3,9H2,1-2H3,(H,19,20,21,22)

InChI Key

LNDZTNGTWBLJGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05843739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.56

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

4.467

Distribution Coefficient, logD

4.465

Water Solubility, LogSw

-4.15

Polar Surface Area

83.559

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 7567-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7567-0156?
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What is the minimum amount of 7567-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7567-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7567-0156
  • 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 7567-0156 available by request