SB36-0574 Screening compound: (1-{[(2S)-4,4-difluoro-1-isobutyltetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(1-pyrrolidinyl)methanone

SB36-0574 Screening compound: (1-{[(2S)-4,4-difluoro-1-isobutyltetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(1-pyrrolidinyl)methanone
SB36-0574 Screening compound: (1-{[(2S)-4,4-difluoro-1-isobutyltetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(1-pyrrolidinyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-0574
(1-{[(2S)-4,4-difluoro-1-isobutyltetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(1-pyrrolidinyl)methanone

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

SB36-0574

Molecular Formula

C16H25F2N5O (C16 H25 F2 N5 O)

Compound Name

(1-{[(2S)-4,4-difluoro-1-isobutyltetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(1-pyrrolidinyl)methanone

IUPAC name

1-{[(2S)-44-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methyl}-4-(pyrrolidine-1-carbonyl)-1H-123-triazole

SMILES

CC(C)CN(C1)[C@H](Cn2nnc(C(N3CCCC3)=O)c2)CC1(F)F

InChI

InChI=1S/C16H25F2N5O/c1-12(2)8-22-11-16(17,18)7-13(22)9-23-10-14(19-20-23)15(24)21-5-3-4-6-21/h10,12-13H,3-9,11H2,1-2H3/t13-/m1/s1

InChI Key

YXDCBXDKWHZFCM-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.879

Distribution Coefficient, logD

1.877

Water Solubility, LogSw

-1.99

Polar Surface Area

47.881

Acid Dissociation Constant (pKa)

25.94

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.25

SB36-0574 in Drug Discovery

Included in Screening Libraries

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 SB36-0574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-0574?
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What is the minimum amount of SB36-0574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-0574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-0574
  • 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 SB36-0574 available by request