SB36-0774 Screening compound: 1-({(2S)-1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide

SB36-0774 Screening compound: 1-({(2S)-1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
SB36-0774 Screening compound: 1-({(2S)-1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-0774
1-({(2S)-1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide

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

SB36-0774

Molecular Formula

C17H22F2N6O4 (C17 H22 F2 N6 O4)

Compound Name

1-({(2S)-1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S)-1-(35-dimethyl-12-oxazole-4-carbonyl)-44-difluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-123-triazole-4-carboxamide

SMILES

Cc1noc(C)c1C(N(C1)[C@H](Cn2nnc(C(NCCOC)=O)c2)CC1(F)F)=O

InChI

InChI=1S/C17H22F2N6O4/c1-10-14(11(2)29-22-10)16(27)25-9-17(18,19)6-12(25)7-24-8-13(21-23-24)15(26)20-4-5-28-3/h8,12H,4-7,9H2,1-3H3,(H,20,26)/t12-/m1/s1

InChI Key

TYZKNBIPNUSEGC-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.044

Distribution Coefficient, logD

0.044

Water Solubility, LogSw

-1.01

Polar Surface Area

98.253

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

SB36-0774 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB36-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-0774?
Check Price and Availability of SB36-0774, 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 SB36-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-0774
  • 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 SB36-0774 available by request