D076-0299 Screening compound: 5-chloro-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3-fluorobenzyl)-3-methyl-1-benzofuran-2-carboxamide

D076-0299 Screening compound: 5-chloro-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3-fluorobenzyl)-3-methyl-1-benzofuran-2-carboxamide
D076-0299 Screening compound: 5-chloro-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3-fluorobenzyl)-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0299
5-chloro-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3-fluorobenzyl)-3-methyl-1-benzofuran-2-carboxamide

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

D076-0299

Molecular Formula

C21H19ClFNO4S (C21 H19 ClFNO4 S)

Compound Name

5-chloro-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3-fluorobenzyl)-3-methyl-1-benzofuran-2-carboxamide

IUPAC name

5-chloro-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(3-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(N(Cc2cc(F)ccc2)C(CC2)CS2(=O)=O)=O)oc(cc2)c1cc2Cl

InChI

InChI=1S/C21H19ClFNO4S/c1-13-18-10-15(22)5-6-19(18)28-20(13)21(25)24(17-7-8-29(26,27)12-17)11-14-3-2-4-16(23)9-14/h2-6,9-10,17H,7-8,11-12H2,1H3/t17-/m0/s1

InChI Key

MSHJMQYPGLCNFM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06648622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.853

Distribution Coefficient, logD

3.853

Water Solubility, LogSw

-4.26

Polar Surface Area

52.386

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-4.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

D076-0299 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 D076-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0299?
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What is the minimum amount of D076-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0299
  • 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 D076-0299 available by request