S970-0474 Screening compound: 4-(cyclopropylmethyl)-3-[1-(1-ethyl-1H-pyrazole-5-carbonyl)-4,4-difluoropyrrolidin-2-yl]-4H-1,2,4-triazole

S970-0474 Screening compound: 4-(cyclopropylmethyl)-3-[1-(1-ethyl-1H-pyrazole-5-carbonyl)-4,4-difluoropyrrolidin-2-yl]-4H-1,2,4-triazole
S970-0474 Screening compound: 4-(cyclopropylmethyl)-3-[1-(1-ethyl-1H-pyrazole-5-carbonyl)-4,4-difluoropyrrolidin-2-yl]-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S970-0474
4-(cyclopropylmethyl)-3-[1-(1-ethyl-1H-pyrazole-5-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

S970-0474

Molecular Formula

C16H20F2N6O (C16 H20 F2 N6 O)

Compound Name

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

IUPAC name

4-(cyclopropylmethyl)-3-[(2S)-1-(1-ethyl-1H-pyrazole-5-carbonyl)-44-difluoropyrrolidin-2-yl]-4H-124-triazole

SMILES

CCn1nccc1C(N(CC(C1)(F)F)[C@@H]1c1nncn1CC1CC1)=O

InChI

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

InChI Key

GTZPTYQFQUPTMR-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

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.002

Distribution Coefficient, logD

1.002

Water Solubility, LogSw

-1.92

Polar Surface Area

54.577

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S970-0474 in Drug Discovery

Included in Screening Libraries

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 S970-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S970-0474?
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What is the minimum amount of S970-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S970-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S970-0474
  • 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 S970-0474 available by request