T404-1047 Screening compound: 1-(4-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-1,4-diazepan-1-yl)-2-(thiophen-2-yl)ethan-1-one

T404-1047 Screening compound: 1-(4-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-1,4-diazepan-1-yl)-2-(thiophen-2-yl)ethan-1-one
T404-1047 Screening compound: 1-(4-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-1,4-diazepan-1-yl)-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T404-1047
1-(4-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-1,4-diazepan-1-yl)-2-(thiophen-2-yl)ethan-1-one

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

T404-1047

Molecular Formula

C17H18ClN5OS (C17 H18 ClN5 OS)

Compound Name

1-(4-{6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl}-1,4-diazepan-1-yl)-2-(thiophen-2-yl)ethan-1-one

IUPAC name

1-(4-{6-chloro-[124]triazolo[43-a]pyridin-3-yl}-14-diazepan-1-yl)-2-(thiophen-2-yl)ethan-1-one

SMILES

O=C(Cc1cccs1)N(CCC1)CCN1c1nnc(cc2)n1cc2Cl

InChI

InChI=1S/C17H18ClN5OS/c18-13-4-5-15-19-20-17(23(15)12-13)22-7-2-6-21(8-9-22)16(24)11-14-3-1-10-25-14/h1,3-5,10,12H,2,6-9,11H2

InChI Key

QJQKUUVSLUTNLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.507

Distribution Coefficient, logD

2.507

Water Solubility, LogSw

-2.81

Polar Surface Area

42.013

Acid Dissociation Constant (pKa)

22.50

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with T404-1047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T404-1047?
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What is the minimum amount of T404-1047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T404-1047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T404-1047
  • 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 T404-1047 available by request