S641-0295 Screening compound: (3S,4S)-1-[(5-bromo-2-furyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrole-3-carboxamide

S641-0295 Screening compound: (3S,4S)-1-[(5-bromo-2-furyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrole-3-carboxamide
S641-0295 Screening compound: (3S,4S)-1-[(5-bromo-2-furyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S641-0295
(3S,4S)-1-[(5-bromo-2-furyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrole-3-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

S641-0295

Molecular Formula

C13H16BrN5O2 (C13 H16 BrN5 O2)

Compound Name

(3S,4S)-1-[(5-bromo-2-furyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrole-3-carboxamide

IUPAC name

n/a

SMILES

Cc1n[nH]c([C@@H](CN(Cc(o2)ccc2Br)C2)[C@H]2C(N)=O)n1

InChI

InChI=1S/C13H16BrN5O2/c1-7-16-13(18-17-7)10-6-19(5-9(10)12(15)20)4-8-2-3-11(14)21-8/h2-3,9-10H,4-6H2,1H3,(H2,15,20)(H,16,17,18)/t9-,10-/m1/s1

InChI Key

KYZFQKODQKNDPZ-NXEZZACHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.417

Distribution Coefficient, logD

-1.077

Water Solubility, LogSw

-2.04

Polar Surface Area

79.757

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

8.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

S641-0295 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with S641-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S641-0295?
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What is the minimum amount of S641-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S641-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S641-0295
  • 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 S641-0295 available by request