SB04-0701 Screening compound: 5-cyclopropyl-N-(2-{[1-(dimethylcarbamoyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)-N-methyl-1H-pyrazole-3-carboxamide

SB04-0701 Screening compound: 5-cyclopropyl-N-(2-{[1-(dimethylcarbamoyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)-N-methyl-1H-pyrazole-3-carboxamide
SB04-0701 Screening compound: 5-cyclopropyl-N-(2-{[1-(dimethylcarbamoyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)-N-methyl-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB04-0701
5-cyclopropyl-N-(2-{[1-(dimethylcarbamoyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)-N-methyl-1H-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

SB04-0701

Molecular Formula

C22H36N6O3 (C22 H36 N6 O3)

Compound Name

5-cyclopropyl-N-(2-{[1-(dimethylcarbamoyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)-N-methyl-1H-pyrazole-3-carboxamide

IUPAC name

5-cyclopropyl-N-(2-{[1-(dimethylcarbamoyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)-N-methyl-1H-pyrazole-3-carboxamide

SMILES

CN(C)C(N(CC1)CC1N(CCN(C)C(c1n[nH]c(C2CC2)c1)=O)C1CCOCC1)=O

InChI

InChI=1S/C22H36N6O3/c1-25(2)22(30)27-9-6-18(15-27)28(17-7-12-31-13-8-17)11-10-26(3)21(29)20-14-19(23-24-20)16-4-5-16/h14,16-18H,4-13,15H2,1-3H3,(H,23,24)/t18-/m1/s1

InChI Key

XOGDBFBZEIVHGB-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32246012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.447

Distribution Coefficient, logD

-1.372

Water Solubility, LogSw

-2.02

Polar Surface Area

67.274

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

10.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.27

SB04-0701 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with SB04-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB04-0701?
Check Price and Availability of SB04-0701, 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 SB04-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB04-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB04-0701
  • 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 SB04-0701 available by request