S970-0479 Screening compound: 4-(cyclopropylmethyl)-3-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]-4H-1,2,4-triazole

S970-0479 Screening compound: 4-(cyclopropylmethyl)-3-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]-4H-1,2,4-triazole
S970-0479 Screening compound: 4-(cyclopropylmethyl)-3-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S970-0479
4-(cyclopropylmethyl)-3-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]-4H-1,2,4-triazole

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

S970-0479

Molecular Formula

C16H20F2N6O (C16 H20 F2 N6 O)

Compound Name

4-(cyclopropylmethyl)-3-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-yl]-4H-1,2,4-triazole

IUPAC name

4-(cyclopropylmethyl)-3-[(2S)-1-(15-dimethyl-1H-pyrazole-3-carbonyl)-44-difluoropyrrolidin-2-yl]-4H-124-triazole

SMILES

Cc1cc(C(N(CC(C2)(F)F)[C@@H]2c2nncn2CC2CC2)=O)nn1C

InChI

InChI=1S/C16H20F2N6O/c1-10-5-12(21-22(10)2)15(25)24-8-16(17,18)6-13(24)14-20-19-9-23(14)7-11-3-4-11/h5,9,11,13H,3-4,6-8H2,1-2H3/t13-/m1/s1

InChI Key

KAJDZTORBMHZPD-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.882

Distribution Coefficient, logD

0.882

Water Solubility, LogSw

-1.00

Polar Surface Area

55.975

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S970-0479 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S970-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S970-0479?
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What is the minimum amount of S970-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S970-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S970-0479
  • 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 S970-0479 available by request