8004-1943 Screening compound: 2-[(2,2,3,3,4,4-hexafluoro-5-{[1-(1H-indol-3-ylmethyl)-2-oxido-2-oxoethyl]amino}-5-oxopentanoyl)amino]-3-(1H-indol-3-yl)propanoate

8004-1943 Screening compound: 2-[(2,2,3,3,4,4-hexafluoro-5-{[1-(1H-indol-3-ylmethyl)-2-oxido-2-oxoethyl]amino}-5-oxopentanoyl)amino]-3-(1H-indol-3-yl)propanoate
8004-1943 Screening compound: 2-[(2,2,3,3,4,4-hexafluoro-5-{[1-(1H-indol-3-ylmethyl)-2-oxido-2-oxoethyl]amino}-5-oxopentanoyl)amino]-3-(1H-indol-3-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1943
2-[(2,2,3,3,4,4-hexafluoro-5-{[1-(1H-indol-3-ylmethyl)-2-oxido-2-oxoethyl]amino}-5-oxopentanoyl)amino]-3-(1H-indol-3-yl)propanoate

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

8004-1943

Molecular Formula

C27H20F6N4O6 (C27 H20 F6 N4 O6)

Compound Name

2-[(2,2,3,3,4,4-hexafluoro-5-{[1-(1H-indol-3-ylmethyl)-2-oxido-2-oxoethyl]amino}-5-oxopentanoyl)amino]-3-(1H-indol-3-yl)propanoate

IUPAC name

2-(4-{[1-carboxylato-2-(1H-indol-3-yl)ethyl]carbamoyl}-223344-hexafluorobutanamido)-3-(1H-indol-3-yl)propanoate

SMILES

[O-]C(C(Cc1c[nH]c2c1cccc2)NC(C(C(C(C(NC(Cc1c[nH]c2c1cccc2)C([O-])=O)=O)(F)F)(F)F)(F)F)=O)=O

InChI

InChI=1S/C27H22F6N4O6/c28-25(29,23(42)36-19(21(38)39)9-13-11-34-17-7-3-1-5-15(13)17)27(32,33)26(30,31)24(43)37-20(22(40)41)10-14-12-35-18-8-4-2-6-16(14)18/h1-8,11-12,19-20,34-35H,9-10H2,(H,36,42)(H,37,43)(H,38,39)(H,40,41)/p-2

InChI Key

RSACXXGOTLKZHK-UHFFFAOYSA-L

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

2Na+

Molecular Weight

610.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.964

Distribution Coefficient, logD

1.964

Water Solubility, LogSw

-2.40

Polar Surface Area

125.155

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.93

8004-1943 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8004-1943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-1943?
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What is the minimum amount of 8004-1943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1943
  • 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 8004-1943 available by request