S970-0392 Screening compound: 4-(cyclopropylmethyl)-3-[4,4-difluoro-1-(furan-3-carbonyl)pyrrolidin-2-yl]-4H-1,2,4-triazole

S970-0392 Screening compound: 4-(cyclopropylmethyl)-3-[4,4-difluoro-1-(furan-3-carbonyl)pyrrolidin-2-yl]-4H-1,2,4-triazole
S970-0392 Screening compound: 4-(cyclopropylmethyl)-3-[4,4-difluoro-1-(furan-3-carbonyl)pyrrolidin-2-yl]-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S970-0392
4-(cyclopropylmethyl)-3-[4,4-difluoro-1-(furan-3-carbonyl)pyrrolidin-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

S970-0392

Molecular Formula

C15H16F2N4O2 (C15 H16 F2 N4 O2)

Compound Name

4-(cyclopropylmethyl)-3-[4,4-difluoro-1-(furan-3-carbonyl)pyrrolidin-2-yl]-4H-1,2,4-triazole

IUPAC name

4-(cyclopropylmethyl)-3-[(2S)-44-difluoro-1-(furan-3-carbonyl)pyrrolidin-2-yl]-4H-124-triazole

SMILES

O=C(c1cocc1)N(CC(C1)(F)F)[C@@H]1c1nncn1CC1CC1

InChI

InChI=1S/C15H16F2N4O2/c16-15(17)5-12(13-19-18-9-20(13)6-10-1-2-10)21(8-15)14(22)11-3-4-23-7-11/h3-4,7,9-10,12H,1-2,5-6,8H2/t12-/m1/s1

InChI Key

KALOBUISHNNZNL-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.603

Distribution Coefficient, logD

1.603

Water Solubility, LogSw

-1.99

Polar Surface Area

49.291

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

S970-0392 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 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 S970-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S970-0392?
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What is the minimum amount of S970-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S970-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S970-0392
  • 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 S970-0392 available by request