SB68-0630 Screening compound: (5S)-5-{[2-(3,5-dimethyl-4-isoxazolyl)acetyl]amino}-N-(3-pyridylmethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide

SB68-0630 Screening compound: (5S)-5-{[2-(3,5-dimethyl-4-isoxazolyl)acetyl]amino}-N-(3-pyridylmethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
SB68-0630 Screening compound: (5S)-5-{[2-(3,5-dimethyl-4-isoxazolyl)acetyl]amino}-N-(3-pyridylmethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB68-0630
(5S)-5-{[2-(3,5-dimethyl-4-isoxazolyl)acetyl]amino}-N-(3-pyridylmethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-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

SB68-0630

Molecular Formula

C20H22N6O3 (C20 H22 N6 O3)

Compound Name

(5S)-5-{[2-(3,5-dimethyl-4-isoxazolyl)acetyl]amino}-N-(3-pyridylmethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide

IUPAC name

(5S)-5-[2-(35-dimethyl-12-oxazol-4-yl)acetamido]-N-[(pyridin-3-yl)methyl]-4H5H6H-pyrrolo[12-b]pyrazole-3-carboxamide

SMILES

Cc1noc(C)c1CC(N[C@@H]1Cn2ncc(C(NCc3cnccc3)=O)c2C1)=O

InChI

InChI=1S/C20H22N6O3/c1-12-16(13(2)29-25-12)7-19(27)24-15-6-18-17(10-23-26(18)11-15)20(28)22-9-14-4-3-5-21-8-14/h3-5,8,10,15H,6-7,9,11H2,1-2H3,(H,22,28)(H,24,27)/t15-/m1/s1

InChI Key

LKWITFNTKAJEGA-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.271

Distribution Coefficient, logD

0.270

Water Solubility, LogSw

-1.37

Polar Surface Area

93.970

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

SB68-0630 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with SB68-0630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB68-0630?
Check Price and Availability of SB68-0630, 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 SB68-0630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB68-0630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB68-0630
  • 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 SB68-0630 available by request