SB04-0516 Screening compound: 3-({2-[(2,4-difluorophenyl)formamido]ethyl}(oxan-4-yl)amino)-N,N-dimethylpyrrolidine-1-carboxamide

SB04-0516 Screening compound: 3-({2-[(2,4-difluorophenyl)formamido]ethyl}(oxan-4-yl)amino)-N,N-dimethylpyrrolidine-1-carboxamide
SB04-0516 Screening compound: 3-({2-[(2,4-difluorophenyl)formamido]ethyl}(oxan-4-yl)amino)-N,N-dimethylpyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB04-0516
3-({2-[(2,4-difluorophenyl)formamido]ethyl}(oxan-4-yl)amino)-N,N-dimethylpyrrolidine-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

SB04-0516

Molecular Formula

C21H30F2N4O3 (C21 H30 F2 N4 O3)

Compound Name

3-({2-[(2,4-difluorophenyl)formamido]ethyl}(oxan-4-yl)amino)-N,N-dimethylpyrrolidine-1-carboxamide

IUPAC name

3-({2-[(24-difluorophenyl)formamido]ethyl}(oxan-4-yl)amino)-NN-dimethylpyrrolidine-1-carboxamide

SMILES

CN(C)C(N(CC1)CC1N(CCNC(c(ccc(F)c1)c1F)=O)C1CCOCC1)=O

InChI

InChI=1S/C21H30F2N4O3/c1-25(2)21(29)26-9-5-17(14-26)27(16-6-11-30-12-7-16)10-8-24-20(28)18-4-3-15(22)13-19(18)23/h3-4,13,16-17H,5-12,14H2,1-2H3,(H,24,28)/t17-/m0/s1

InChI Key

GPTGHJLMQTXGOB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32246182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.055

Distribution Coefficient, logD

-0.475

Water Solubility, LogSw

-2.99

Polar Surface Area

52.387

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

9.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

References: we are preparing a list of scientific research reports with SB04-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB04-0516?
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What is the minimum amount of SB04-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB04-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB04-0516
  • 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 SB04-0516 available by request