SB91-0513 Screening compound: N-[1-(3,4-dimethylbenzoyl)tetrahydro-1H-pyrrol-3-yl]-N',N'-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]sulfamide

SB91-0513 Screening compound: N-[1-(3,4-dimethylbenzoyl)tetrahydro-1H-pyrrol-3-yl]-N',N'-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]sulfamide
SB91-0513 Screening compound: N-[1-(3,4-dimethylbenzoyl)tetrahydro-1H-pyrrol-3-yl]-N',N'-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]sulfamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-0513
N-[1-(3,4-dimethylbenzoyl)tetrahydro-1H-pyrrol-3-yl]-N',N'-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]sulfamide

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

SB91-0513

Molecular Formula

C21H34N4O3S (C21 H34 N4 O3 S)

Compound Name

N-[1-(3,4-dimethylbenzoyl)tetrahydro-1H-pyrrol-3-yl]-N',N'-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]sulfamide

IUPAC name

{[1-(34-dimethylbenzoyl)pyrrolidin-3-yl][2-(pyrrolidin-1-yl)ethyl]sulfamoyl}dimethylamine

SMILES

Cc(cc1)c(C)cc1C(N(CC1)CC1N(CCN1CCCC1)S(N(C)C)(=O)=O)=O

InChI

InChI=1S/C21H34N4O3S/c1-17-7-8-19(15-18(17)2)21(26)24-12-9-20(16-24)25(29(27,28)22(3)4)14-13-23-10-5-6-11-23/h7-8,15,20H,5-6,9-14,16H2,1-4H3/t20-/m0/s1

InChI Key

BBBXXWHFUUDHRK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32250458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.908

Distribution Coefficient, logD

1.130

Water Solubility, LogSw

-2.48

Polar Surface Area

57.066

Acid Dissociation Constant (pKa)

27.68

Base Dissociation Constant (pKb)

8.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SB91-0513 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB91-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-0513?
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What is the minimum amount of SB91-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-0513
  • 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 SB91-0513 available by request