SB04-0642 Screening compound: N,N-dimethyl-3-[(2-{methyl[(propan-2-yl)carbamoyl]amino}ethyl)(oxan-4-yl)amino]pyrrolidine-1-carboxamide

SB04-0642 Screening compound: N,N-dimethyl-3-[(2-{methyl[(propan-2-yl)carbamoyl]amino}ethyl)(oxan-4-yl)amino]pyrrolidine-1-carboxamide
SB04-0642 Screening compound: N,N-dimethyl-3-[(2-{methyl[(propan-2-yl)carbamoyl]amino}ethyl)(oxan-4-yl)amino]pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB04-0642
N,N-dimethyl-3-[(2-{methyl[(propan-2-yl)carbamoyl]amino}ethyl)(oxan-4-yl)amino]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

SB04-0642

Molecular Formula

C19H37N5O3 (C19 H37 N5 O3)

Compound Name

N,N-dimethyl-3-[(2-{methyl[(propan-2-yl)carbamoyl]amino}ethyl)(oxan-4-yl)amino]pyrrolidine-1-carboxamide

IUPAC name

NN-dimethyl-3-[(2-{methyl[(propan-2-yl)carbamoyl]amino}ethyl)(oxan-4-yl)amino]pyrrolidine-1-carboxamide

SMILES

CC(C)NC(N(C)CCN(C(CC1)CN1C(N(C)C)=O)C1CCOCC1)=O

InChI

InChI=1S/C19H37N5O3/c1-15(2)20-18(25)22(5)10-11-24(16-7-12-27-13-8-16)17-6-9-23(14-17)19(26)21(3)4/h15-17H,6-14H2,1-5H3,(H,20,25)/t17-/m1/s1

InChI Key

DVZCQXVURWQDOS-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32245562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.199

Distribution Coefficient, logD

-3.915

Water Solubility, LogSw

-2.01

Polar Surface Area

53.650

Acid Dissociation Constant (pKa)

16.40

Base Dissociation Constant (pKb)

12.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

89.47

SB04-0642 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with SB04-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB04-0642?
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What is the minimum amount of SB04-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB04-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB04-0642
  • 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 SB04-0642 available by request