C777-1229 Screening compound: methyl 6-{1-[(2,4,6-trimethylphenyl)carbamoyl]propyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate

C777-1229 Screening compound: methyl 6-{1-[(2,4,6-trimethylphenyl)carbamoyl]propyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate
C777-1229 Screening compound: methyl 6-{1-[(2,4,6-trimethylphenyl)carbamoyl]propyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C777-1229
methyl 6-{1-[(2,4,6-trimethylphenyl)carbamoyl]propyl}-6H-thieno[2,3-b]pyrrole-5-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

C777-1229

Molecular Formula

C21H24N2O3S (C21 H24 N2 O3 S)

Compound Name

methyl 6-{1-[(2,4,6-trimethylphenyl)carbamoyl]propyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate

IUPAC name

methyl 6-{1-[(246-trimethylphenyl)carbamoyl]propyl}-6H-thieno[23-b]pyrrole-5-carboxylate

SMILES

CCC(C(Nc1c(C)cc(C)cc1C)=O)n1c(scc2)c2cc1C(OC)=O

InChI

InChI=1S/C21H24N2O3S/c1-6-16(19(24)22-18-13(3)9-12(2)10-14(18)4)23-17(21(25)26-5)11-15-7-8-27-20(15)23/h7-11,16H,6H2,1-5H3,(H,22,24)/t16-/m0/s1

InChI Key

HTPYYGYHMPORRQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14793684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.508

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.39

Polar Surface Area

44.967

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C777-1229 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C777-1229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C777-1229?
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What is the minimum amount of C777-1229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C777-1229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C777-1229
  • 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 C777-1229 available by request