C064-0372 Screening compound: ethyl 4-{2-[(1-{2-[(2,6-difluorophenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}benzoate

C064-0372 Screening compound: ethyl 4-{2-[(1-{2-[(2,6-difluorophenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}benzoate
C064-0372 Screening compound: ethyl 4-{2-[(1-{2-[(2,6-difluorophenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0372
ethyl 4-{2-[(1-{2-[(2,6-difluorophenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}benzoate

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

C064-0372

Molecular Formula

C28H25F2N3O4S (C28 H25 F2 N3 O4 S)

Compound Name

ethyl 4-{2-[(1-{2-[(2,6-difluorophenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[(1-{2-[(26-difluorophenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc1cn(CCNC(c(c(F)ccc2)c2F)=O)c2c1cccc2)=O)=O

InChI

InChI=1S/C28H25F2N3O4S/c1-2-37-28(36)18-10-12-19(13-11-18)32-25(34)17-38-24-16-33(23-9-4-3-6-20(23)24)15-14-31-27(35)26-21(29)7-5-8-22(26)30/h3-13,16H,2,14-15,17H2,1H3,(H,31,35)(H,32,34)

InChI Key

ZUCJKNIRBQOTKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.859

Distribution Coefficient, logD

4.859

Water Solubility, LogSw

-4.69

Polar Surface Area

70.107

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

C064-0372 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C064-0372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0372?
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What is the minimum amount of C064-0372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0372
  • 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 C064-0372 available by request