F065-0075 Screening compound: methyl 4-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyrrolidin-1-yl)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate

F065-0075 Screening compound: methyl 4-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyrrolidin-1-yl)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
F065-0075 Screening compound: methyl 4-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyrrolidin-1-yl)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F065-0075
methyl 4-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyrrolidin-1-yl)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate

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

F065-0075

Molecular Formula

C20H23N3O7S (C20 H23 N3 O7 S)

Compound Name

methyl 4-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyrrolidin-1-yl)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-[(2-{[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}pyrrolidin-1-yl)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate

SMILES

Cn1c(C(OC)=O)cc(S(N(CCC2)C2C(NCc(cc2)cc3c2OCO3)=O)(=O)=O)c1

InChI

InChI=1S/C20H23N3O7S/c1-22-11-14(9-16(22)20(25)28-2)31(26,27)23-7-3-4-15(23)19(24)21-10-13-5-6-17-18(8-13)30-12-29-17/h5-6,8-9,11,15H,3-4,7,10,12H2,1-2H3,(H,21,24)/t15-/m0/s1

InChI Key

AFHHOUDNSFJQPK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27098165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.747

Distribution Coefficient, logD

0.747

Water Solubility, LogSw

-2.41

Polar Surface Area

97.799

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

F065-0075 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F065-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F065-0075?
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What is the minimum amount of F065-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F065-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F065-0075
  • 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 F065-0075 available by request