P207-9100A Screening compound: 3-[5-((3S,4R)-1-(tert-butoxycarbonyl)-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}tetrahydro-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid

P207-9100A Screening compound: 3-[5-((3S,4R)-1-(tert-butoxycarbonyl)-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}tetrahydro-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
P207-9100A Screening compound: 3-[5-((3S,4R)-1-(tert-butoxycarbonyl)-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}tetrahydro-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound P207-9100A
3-[5-((3S,4R)-1-(tert-butoxycarbonyl)-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}tetrahydro-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid

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

P207-9100A

Molecular Formula

C33H32N4O7 (C33 H32 N4 O7)

Compound Name

3-[5-((3S,4R)-1-(tert-butoxycarbonyl)-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}tetrahydro-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid

IUPAC name

3-{5-[(3S4R)-1-[(tert-butoxy)carbonyl]-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pyrrolidin-3-yl]-124-oxadiazol-3-yl}benzoic acid

SMILES

CC(C)(C)OC(N(C[C@@H]1c2nc(-c3cc(C(O)=O)ccc3)no2)C[C@@H]1NC(OCC1c(cccc2)c2-c2c1cccc2)=O)=O

InChI

InChI=1S/C33H32N4O7/c1-33(2,3)43-32(41)37-16-25(29-35-28(36-44-29)19-9-8-10-20(15-19)30(38)39)27(17-37)34-31(40)42-18-26-23-13-6-4-11-21(23)22-12-5-7-14-24(22)26/h4-15,25-27H,16-18H2,1-3H3,(H,34,40)(H,38,39)/t25-,27-/m1/s1

InChI Key

XAUNPRPGAWZXEL-XNMGPUDCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

7.204

Distribution Coefficient, logD

3.945

Water Solubility, LogSw

-5.49

Polar Surface Area

115.175

Acid Dissociation Constant (pKa)

4.14

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.30

P207-9100A in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system

References: we are preparing a list of scientific research reports with P207-9100A chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P207-9100A?
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What is the minimum amount of P207-9100A you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P207-9100A
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P207-9100A
  • 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 P207-9100A available by request