D137-0639 Screening compound: N-(2-chlorophenyl)-6-(4-fluorophenyl)-3-(phenoxymethyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

D137-0639 Screening compound: N-(2-chlorophenyl)-6-(4-fluorophenyl)-3-(phenoxymethyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
D137-0639 Screening compound: N-(2-chlorophenyl)-6-(4-fluorophenyl)-3-(phenoxymethyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D137-0639
N-(2-chlorophenyl)-6-(4-fluorophenyl)-3-(phenoxymethyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

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

D137-0639

Molecular Formula

C24H19ClFN5O2S (C24 H19 ClFN5 O2 S)

Compound Name

N-(2-chlorophenyl)-6-(4-fluorophenyl)-3-(phenoxymethyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

IUPAC name

N-(2-chlorophenyl)-6-(4-fluorophenyl)-3-(phenoxymethyl)-5H6H7H-[124]triazolo[34-b][134]thiadiazine-7-carboxamide

SMILES

O=C(C1Sc2nnc(COc3ccccc3)n2NC1c(cc1)ccc1F)Nc(cccc1)c1Cl

InChI

InChI=1S/C24H19ClFN5O2S/c25-18-8-4-5-9-19(18)27-23(32)22-21(15-10-12-16(26)13-11-15)30-31-20(28-29-24(31)34-22)14-33-17-6-2-1-3-7-17/h1-13,21-22,30H,14H2,(H,27,32)

InChI Key

SJDCVWQFEAKBQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08575532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.406

Distribution Coefficient, logD

4.404

Water Solubility, LogSw

-4.59

Polar Surface Area

67.560

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

12.50

D137-0639 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D137-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D137-0639?
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What is the minimum amount of D137-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D137-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D137-0639
  • 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 D137-0639 available by request