8016-7985 Screening compound: 2-({[3-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl]carbonyl}amino)acetic acid

8016-7985 Screening compound: 2-({[3-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl]carbonyl}amino)acetic acid
8016-7985 Screening compound: 2-({[3-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl]carbonyl}amino)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7985
2-({[3-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl]carbonyl}amino)acetic 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

8016-7985

Molecular Formula

C16H16F3N3O3S (C16 H16 F3 N3 O3 S)

Compound Name

2-({[3-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl]carbonyl}amino)acetic acid

IUPAC name

2-{[6-amino-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.5.0.0^{37}]tetradeca-1(9)257-tetraen-5-yl]formamido}acetic acid

SMILES

Nc1c(C(NCC(O)=O)=O)sc2nc(CCCCC3)c3c(C(F)(F)F)c12

InChI

InChI=1S/C16H16F3N3O3S/c17-16(18,19)11-7-4-2-1-3-5-8(7)22-15-10(11)12(20)13(26-15)14(25)21-6-9(23)24/h1-6,20H2,(H,21,25)(H,23,24)

InChI Key

QQYGWDOGYROUTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.616

Distribution Coefficient, logD

-1.171

Water Solubility, LogSw

-2.90

Polar Surface Area

84.166

Acid Dissociation Constant (pKa)

3.61

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

8016-7985 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-7985 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8016-7985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7985
  • 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 8016-7985 available by request