8010-8601 Screening compound: methyl 2-({2-[(dimethylcarbamoyl)amino]-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl}amino)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

8010-8601 Screening compound: methyl 2-({2-[(dimethylcarbamoyl)amino]-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl}amino)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
8010-8601 Screening compound: methyl 2-({2-[(dimethylcarbamoyl)amino]-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl}amino)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-8601
methyl 2-({2-[(dimethylcarbamoyl)amino]-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl}amino)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-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

8010-8601

Molecular Formula

C19H26F3N3O5S (C19 H26 F3 N3 O5 S)

Compound Name

methyl 2-({2-[(dimethylcarbamoyl)amino]-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl}amino)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-({2-[(dimethylcarbamoyl)amino]-3-ethoxy-111-trifluoro-3-oxopropan-2-yl}amino)-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

CCOC(C(C(F)(F)F)(NC(N(C)C)=O)Nc1c(C(OC)=O)c(CCCCC2)c2s1)=O

InChI

InChI=1S/C19H26F3N3O5S/c1-5-30-16(27)18(19(20,21)22,24-17(28)25(2)3)23-14-13(15(26)29-4)11-9-7-6-8-10-12(11)31-14/h23H,5-10H2,1-4H3,(H,24,28)/t18-/m0/s1

InChI Key

HOUUXZAGRZMRMD-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.824

Distribution Coefficient, logD

2.658

Water Solubility, LogSw

-4.09

Polar Surface Area

77.231

Acid Dissociation Constant (pKa)

6.27

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

8010-8601 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-8601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-8601?
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What is the minimum amount of 8010-8601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-8601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-8601
  • 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 8010-8601 available by request