SB36-1010 Screening compound: 1-((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-4-phenyl-1-butanone

SB36-1010 Screening compound: 1-((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-4-phenyl-1-butanone
SB36-1010 Screening compound: 1-((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-4-phenyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-1010
1-((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-4-phenyl-1-butanone

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

SB36-1010

Molecular Formula

C22H27F2N5O2 (C22 H27 F2 N5 O2)

Compound Name

1-((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-4-phenyl-1-butanone

IUPAC name

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

SMILES

O=C(CCCc1ccccc1)N(C1)[C@H](Cn2nnc(C(N3CCCC3)=O)c2)CC1(F)F

InChI

InChI=1S/C22H27F2N5O2/c23-22(24)13-18(14-28-15-19(25-26-28)21(31)27-11-4-5-12-27)29(16-22)20(30)10-6-9-17-7-2-1-3-8-17/h1-3,7-8,15,18H,4-6,9-14,16H2/t18-/m1/s1

InChI Key

FCXBLLMHPRATPR-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.934

Distribution Coefficient, logD

2.934

Water Solubility, LogSw

-3.08

Polar Surface Area

59.832

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

SB36-1010 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with SB36-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-1010?
Check Price and Availability of SB36-1010, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB36-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-1010
  • 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 SB36-1010 available by request