7535-0697 Screening compound: 1-(4-chlorophenyl)-3-methyl-6-(thiophen-2-yl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

7535-0697 Screening compound: 1-(4-chlorophenyl)-3-methyl-6-(thiophen-2-yl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
7535-0697 Screening compound: 1-(4-chlorophenyl)-3-methyl-6-(thiophen-2-yl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7535-0697
1-(4-chlorophenyl)-3-methyl-6-(thiophen-2-yl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

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

7535-0697

Molecular Formula

C18H11ClF3N3S (C18 H11 ClF3 N3 S)

Compound Name

1-(4-chlorophenyl)-3-methyl-6-(thiophen-2-yl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

IUPAC name

1-(4-chlorophenyl)-3-methyl-6-(thiophen-2-yl)-4-(trifluoromethyl)-1H-pyrazolo[34-b]pyridine

SMILES

Cc(c1c(C(F)(F)F)cc(-c2cccs2)nc11)nn1-c(cc1)ccc1Cl

InChI

InChI=1S/C18H11ClF3N3S/c1-10-16-13(18(20,21)22)9-14(15-3-2-8-26-15)23-17(16)25(24-10)12-6-4-11(19)5-7-12/h2-9H,1H3

InChI Key

XRLMCKBDYFUJCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03957460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.82

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.009

Distribution Coefficient, logD

6.009

Water Solubility, LogSw

-6.44

Polar Surface Area

24.381

Acid Dissociation Constant (pKa)

30.73

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

7535-0697 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7535-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7535-0697?
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What is the minimum amount of 7535-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7535-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7535-0697
  • 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 7535-0697 available by request