S970-0407 Screening compound: 3-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidine-1-carbonyl}-1H-indazole

S970-0407 Screening compound: 3-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidine-1-carbonyl}-1H-indazole
S970-0407 Screening compound: 3-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidine-1-carbonyl}-1H-indazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S970-0407
3-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidine-1-carbonyl}-1H-indazole

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

S970-0407

Molecular Formula

C18H18F2N6O (C18 H18 F2 N6 O)

Compound Name

3-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidine-1-carbonyl}-1H-indazole

IUPAC name

3-[(2S)-2-[4-(cyclopropylmethyl)-4H-124-triazol-3-yl]-44-difluoropyrrolidine-1-carbonyl]-1H-indazole

SMILES

O=C(c1n[nH]c2c1cccc2)N(CC(C1)(F)F)[C@@H]1c1nncn1CC1CC1

InChI

InChI=1S/C18H18F2N6O/c19-18(20)7-14(16-24-21-10-25(16)8-11-5-6-11)26(9-18)17(27)15-12-3-1-2-4-13(12)22-23-15/h1-4,10-11,14H,5-9H2,(H,22,23)/t14-/m1/s1

InChI Key

GTBGWTWUSWGXMM-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.086

Distribution Coefficient, logD

2.086

Water Solubility, LogSw

-2.78

Polar Surface Area

64.735

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

S970-0407 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S970-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S970-0407?
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What is the minimum amount of S970-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S970-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S970-0407
  • 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 S970-0407 available by request