SB91-1313 Screening compound: 3-[(dimethylcarbamoyl)[2-(piperidin-1-yl)ethyl]amino]-N-(2-methylphenyl)pyrrolidine-1-carboxamide

SB91-1313 Screening compound: 3-[(dimethylcarbamoyl)[2-(piperidin-1-yl)ethyl]amino]-N-(2-methylphenyl)pyrrolidine-1-carboxamide
SB91-1313 Screening compound: 3-[(dimethylcarbamoyl)[2-(piperidin-1-yl)ethyl]amino]-N-(2-methylphenyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-1313
3-[(dimethylcarbamoyl)[2-(piperidin-1-yl)ethyl]amino]-N-(2-methylphenyl)pyrrolidine-1-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

SB91-1313

Molecular Formula

C22H35N5O2 (C22 H35 N5 O2)

Compound Name

3-[(dimethylcarbamoyl)[2-(piperidin-1-yl)ethyl]amino]-N-(2-methylphenyl)pyrrolidine-1-carboxamide

IUPAC name

3-[(dimethylcarbamoyl)[2-(piperidin-1-yl)ethyl]amino]-N-(2-methylphenyl)pyrrolidine-1-carboxamide

SMILES

Cc(cccc1)c1NC(N(CC1)CC1N(CCN1CCCCC1)C(N(C)C)=O)=O

InChI

InChI=1S/C22H35N5O2/c1-18-9-5-6-10-20(18)23-21(28)26-14-11-19(17-26)27(22(29)24(2)3)16-15-25-12-7-4-8-13-25/h5-6,9-10,19H,4,7-8,11-17H2,1-3H3,(H,23,28)/t19-/m0/s1

InChI Key

VHRLMXOCVNDTTN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32249769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.553

Distribution Coefficient, logD

-1.463

Water Solubility, LogSw

-2.65

Polar Surface Area

45.420

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

11.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

SB91-1313 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 SB91-1313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-1313?
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What is the minimum amount of SB91-1313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-1313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-1313
  • 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 SB91-1313 available by request