7238-1697 Screening compound: methyl 4-{7-[(3-methylphenyl)carbamoyl]-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate

7238-1697 Screening compound: methyl 4-{7-[(3-methylphenyl)carbamoyl]-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate
7238-1697 Screening compound: methyl 4-{7-[(3-methylphenyl)carbamoyl]-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7238-1697
methyl 4-{7-[(3-methylphenyl)carbamoyl]-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate

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

7238-1697

Molecular Formula

C26H23N5O3S (C26 H23 N5 O3 S)

Compound Name

methyl 4-{7-[(3-methylphenyl)carbamoyl]-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate

IUPAC name

methyl 4-{7-[(3-methylphenyl)carbamoyl]-3-phenyl-5H6H7H-[124]triazolo[34-b][134]thiadiazin-6-yl}benzoate

SMILES

Cc1cccc(NC(C2Sc3nnc(-c4ccccc4)n3NC2c(cc2)ccc2C(OC)=O)=O)c1

InChI

InChI=1S/C26H23N5O3S/c1-16-7-6-10-20(15-16)27-24(32)22-21(17-11-13-19(14-12-17)25(33)34-2)30-31-23(28-29-26(31)35-22)18-8-4-3-5-9-18/h3-15,21-22,30H,1-2H3,(H,27,32)

InChI Key

ZYNQNSLWTMUZSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08087530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.983

Distribution Coefficient, logD

4.983

Water Solubility, LogSw

-4.72

Polar Surface Area

80.957

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 7238-1697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-1697?
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What is the minimum amount of 7238-1697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-1697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-1697
  • 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 7238-1697 available by request